Summary
| Herb Id: TCMCG004 | Herb name: Arachis hypogaea |
| Function: To fortify spleen and nourish stomach, moisten lung and transform phlegm. | Indication: Stomach reflux, scant breast milk, beriberi, lung heat dry cough, dry stool. |
Ingredient
| Ingredient_name: 11,14-eicosadienoate | Alias: NA |
| Ingredient_formula: C20H36O2 | Ingredient_Smile: CCCCCC=CCC=CCCCCCCCCCC(=O)O |
| Ingredient_weight: 308.5 g/mol | OB_score: NA |
| PubChem_id: 6439848 | EC: 4.2.3.141 [VIEW IN KEGG] |
| Ingredient_name: 1,2,3-trimethylbenzene | Alias: NA |
| Ingredient_formula: C9H12 | Ingredient_Smile: CC1=C(C(=CC=C1)C)C |
| Ingredient_weight: 120.19 g/mol | OB_score: NA |
| PubChem_id: 10686 | EC: - |
| Ingredient_name: 1-(2,6,6-Trimethyl-1,3-cyclohexadiene-1-radix)-2- butene-1-ketone | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 12-methyl-E,E-2,13-octadecadienoic-1-ol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 1,3,5-Trimethylbenzene | Alias: NA |
| Ingredient_formula: C9H12 | Ingredient_Smile: CC1=CC(=CC(=C1)C)C |
| Ingredient_weight: 120.19 g/mol | OB_score: NA |
| PubChem_id: 7947 | EC: - |
| Ingredient_name: 1,3-diphenylpropane-1,2-diol-3-one | Alias: NA |
| Ingredient_formula: C15H14O3 | Ingredient_Smile: C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.1.1.240 [VIEW IN KEGG] 1.1.1.219 [VIEW IN KEGG] 1.14.20.4 [VIEW IN KEGG] 1.1.1.348 [VIEW IN KEGG] 4.2.1.139 [VIEW IN KEGG] |
| Ingredient_name: 1-Ethyl-2,4-dimethylphenyl | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 1-ethyl-2-methylbenzene | Alias: NA |
| Ingredient_formula: C9H12 | Ingredient_Smile: CCC1=CC=CC=C1C |
| Ingredient_weight: 120.19 g/mol | OB_score: NA |
| PubChem_id: 11903 | EC: - |
| Ingredient_name: 1- octene-3-ol | Alias: 1-octene-3-ol |
| Ingredient_formula: C8H16O | Ingredient_Smile: CCCCCC(C=C)O |
| Ingredient_weight: 128.21 g/mol | OB_score: NA |
| PubChem_id: 18827 | EC: 1.1.1.1 [VIEW IN KEGG] 1.1.1.73 [VIEW IN KEGG] |
| Ingredient_name: 24-Methylenecholesterol | Alias: 24-methylene cholesterol |
| Ingredient_formula: C31H50O2 | Ingredient_Smile: CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| Ingredient_weight: 454.73 | OB_score: 43.53915539 |
| PubChem_id: 53477901 | EC: 1.14.18.10 [VIEW IN KEGG] |
| Ingredient_name: 24-Methylenecycloartan-3beta,21-diol | Alias: 24-methylene cycloartan-3β,21-diol; 24-methylene cycloartan-3beta,21-diol |
| Ingredient_formula: C31H52O2 | Ingredient_Smile: CC(C)C(=C)CCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| Ingredient_weight: 456.83 | OB_score: 37.31728162 |
| PubChem_id: NA | EC: 1.14.18.10 [VIEW IN KEGG] |
| Ingredient_name: 2,6,10-Trimethyldodecane | Alias: NA |
| Ingredient_formula: C15H32 | Ingredient_Smile: CCC(C)CCCC(C)CCCC(C)C |
| Ingredient_weight: 212.41 g/mol | OB_score: NA |
| PubChem_id: 19773 | EC: - |
| Ingredient_name: 2,7-dimethyl-2,6- octadiene-1-pl | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 2-Methoxy-4-vinylphenol | Alias: 2-methoxy-4-vinylphenol |
| Ingredient_formula: C9H10O2 | Ingredient_Smile: COC1=C(C=CC(=C1)C=C)O |
| Ingredient_weight: 150.17 g/mol | OB_score: 21.96696206 |
| PubChem_id: 332 | EC: 1.1.1.195 [VIEW IN KEGG] 1.11.1.7 [VIEW IN KEGG] 1.11.1.21 [VIEW IN KEGG] 2.4.1.111 [VIEW IN KEGG] 3.2.1.126 [VIEW IN KEGG] 1.3.1.31 [VIEW IN KEGG] 1.3.8.15 [VIEW IN KEGG] 1.14.12.19 [VIEW IN KEGG] 1.14.13.92 [VIEW IN KEGG] 2.3.1.224 [VIEW IN KEGG] 4.1.1.102 [VIEW IN KEGG] 1.13.11.70 [VIEW IN KEGG] |
| Ingredient_name: 2-pentylfuran | Alias: ANW-28727; 2-Pentylfuran (natural); NCGC00257337-01; BRN 0107854; 4832AB; 2-Pentylfuran, natural (US), >=97%, FG; DSSTox_GSID_47679; A823863; Tox21_303542; 2-pentyl-furan; EINECS 223-234-7; 2-(Pent-1-yl)fura; CHEMBL3182720; CCRIS 8807; LS-3020; 2-Pentylfuran, >=98%, FG; 2- pentylfuran; ACM3777693; 2-pentyl furan; 2-n-Pentylfuran; AJ-32318; YVBAUDVGOFCUSG-UHFFFAOYSA-N; AK115089; PubChem7059; Furan, 2-pentyl-; AKOS015913798; FEMA No. 3317; Amyl furan (2-Pentyl furan); Furan, pentyl-; UNII-6I0QAJ1JZQ; SCHEMBL221257; 6I0QAJ1JZQ; 5-17-01-00390 (Beilstein Handbook Reference); 2-Amylfuran; DTXSID9047679; MFCD00036497; CJ-30830; RT-000871; CAS-3777-69-3; ST2417147; KB-167424; FCH1116834; ST51055140; AC1L2EGN; CTK1C2668; 2-pentylfurane; C-36409; 2-PENTYLFURAN; CHEBI:89197; ACMC-1CR6G; AN-20963; AX8077986; DSSTox_RID_82496; 3777-69-3; FT-0613265; AMYLFURAN; 64079-01-2; PENTYLFURAN; W-106514; ZX-AT008910; FEMA 3317; OR3220; 2-(N-Pentyl)furan; 2- Pentylfuran; ZINC1997926; Furane, 2-pentyl; MolPort-001-767-620; DB-003325; P1209; DSSTox_CID_27679; 2-Pentylfuran, analytical standard; KS-000010BS; 777P693 |
| Ingredient_formula: C9H14O | Ingredient_Smile: CCCCCC1=CC=CO1 |
| Ingredient_weight: 138.21 g/mol | OB_score: NA |
| PubChem_id: 19602 | EC: - |
| Ingredient_name: 3,4-Dihydroxydihydgaroaroiuran | Alias: 3,4-dihydroxydihydgaroaroiuran |
| Ingredient_formula: C16H28O2 | Ingredient_Smile: CC1(CC23CC1CCC2(CCC(C3(C)O)O)C)C |
| Ingredient_weight: 252.44 | OB_score: 77.91839533 |
| PubChem_id: NA | EC: - |
| Ingredient_name: 3,7-dimethyl-1,5,7-octantrien--3-ol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 3,7-dimethyl-1,6-Octadiene-3-ol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 4-Prenylresveratrol | Alias: (e)-3,5,4'-trihydroxy-4-prenylstilbene; C10285; AC1NQYYV; 61517-87-1; DTXSID50415185; TRANS-ARACHIDIN-2; 4-prenylresveratrol; ARACHIDIN-2; CHEBI:1927; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol; LMPK13090014; SCHEMBL4742876; CHEMBL2230263 |
| Ingredient_formula: C19H20O3 | Ingredient_Smile: CC(=CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)C |
| Ingredient_weight: 296.36 | OB_score: 40.53871703 |
| PubChem_id: 5281725 | EC: - |
| Ingredient_name: 5,6,7,7a-tetrahy-4,4,7α-trimethyl-2(4H)-benzofuranone | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 5,7-Dihydroxychromone | Alias: AC1NQYDJ; 5,7-dihydroxy-4-chromenone; N2172; Q-100396; DTXSID30185617; BDBM50115096; 5,7-Dihydroxy-4-chromone; ZINC6119185; 5,7-Dihydroxy-4H-1-benzopyran-4-one; MolPort-008-155-942; CHEBI:2007; 4CN-1438; ANW-44157; CTK4G7632; CHEMBL3604316; AC-6025; FCH1155434; 5,7-dihydroxychromone ; 3455AB; AJ-55880; 31721-94-5; AK-88917; SCHEMBL1860859; 5,7-dihydroxychromen-4-one; C09001; BG00908758; 5,7-Dihydroxy-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-; ST2405978; 5,7-dihydroxychromone; BG01504926; 4H-1-Benzopyran-4-one,5,7-dihydroxy-; FT-0686568; AKOS015999181 |
| Ingredient_formula: C9H6O4 | Ingredient_Smile: C1=COC2=CC(=CC(=C2C1=O)O)O |
| Ingredient_weight: 178.14 | OB_score: 26.04054084 |
| PubChem_id: 5281343 | EC: 2.4.1.104 [VIEW IN KEGG] 2.5.1.138 [VIEW IN KEGG] 1.14.18.1 [VIEW IN KEGG] |
| Ingredient_name: 6, 10, 14- trimethyl- 2- pentadecanone | Alias: 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone |
| Ingredient_formula: C18H36O | Ingredient_Smile: CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| Ingredient_weight: 268.5 g/mol | OB_score: NA |
| PubChem_id: 10408 | EC: 4.1.99.5 [VIEW IN KEGG] |
| Ingredient_name: 6,10,14-trimethylpentadeca,(E,E)-5,9,13-triene-2-ketone | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: α, α-4- trimethyl-3-cyclohexene-1-methanol | Alias: alpha, alpha 4- trimethyl- 3- cyclohexene- 1- methanol; α,α-4-Trimethyl-3-cyclohexene-1-Methanol |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: alpha-terpineol | Alias: (S)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; (-)-; (1S)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; 4-(2-Hydroxy-2-propyl)-1-methylcyclohexene; RL00225; MFCD00075926; p-Menth-1-en-8-ol, (S)-(-)-; 10482-56-1; Lily of valley; (R)-2-(4-methylcyclohex-3-enyl)propan-2-ol; CHEMBL447597; UNII-21M14KDA67; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, (theta)-; (+)-alpha-Terpineol, analytical standard; alpha-Terpinol; CAS-10482-56-1; I14-47387; ZINC967595; (R)-alpha-terpineol; (S)-(-)-p-menth-1-en-8-ol; MolPort-003-932-718; AC1Q2JDL; CJ-04634; (+)-p-menth-1-en-8-ol; (+)-?-TERPINEOL; Alpha-terpineol, l; UNII-R53Q4ZWC99 component WUOACPNHFRMFPN-SECBINFHSA-N; EINECS 232-081-5; alpha-Terpineol (mixture of isomers); 21M14KDA67; .alpha.-Terpinol; (-)-alpha-Terpineol; NCGC00357037-01; (R)-2-(4-Methyl-3-cyclohexenyl)isopropanol; WUOACPNHFRMFPN-SECBINFHSA-N; 2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol; (4S)-p-menth-1-en-8-ol; HSDB 2683; A-Terpineol; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1S)-; (-)-.alpha.-Terpineol; (+)-; SCHEMBL891812; 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol; FT-0772029; (S)-2-(4-Methyl-3-cyclohexenyl)-2-propanol; AJ-24552; MFCD00171435; 2-(4-methylcyclohex-3-enyl)propan-2-ol (alpha-terpineol); (.+/-.)-.alpha.-Terpineol; SC-47198; DSSTox_CID_31245; .alpha.,.alpha.,4-Trimethyl-3-Cyclohexene-1-methanol; dl-.alpha.-Terpineol; I14-49868; 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-; AK608361; (+)--Terpineol; CJ-04627; alpha-Terpineol, (+)-; SCHEMBL980991; ZB015495; 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-; alpha-Terpineol, 96% 25g; alpha-Terpineol; EINECS 233-986-8; 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol #; 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol; (6R)-p-menth-1-en-8-ol; UNII-R53Q4ZWC99 component WUOACPNHFRMFPN-VIFPVBQESA-N; 8-Hydroxy-p-menth-1-ene; (S)-p-Menth-1-en-8-ol; alpha-terpineol ; FT-0627680; α-terpineol; C11393; alpha- Terpineol; (-)-?-TERPINEOL; AJ-24535; (R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol; UNII-21334LVV8W component WUOACPNHFRMFPN-VIFPVBQESA-N; UNII-21334LVV8W component WUOACPNHFRMFPN-SECBINFHSA-N; .alpha.-Terpineol, (-)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, (1S)-; DTXSID5052672; (L)-alpha-Terpineol; alpha,alpha,4-Trimethyl-(S)-3-Cyclohexene-1-methanol; l-a-Terpineol; L-.alpha.-Terpineol; CHEBI:300; alpha-Terpineol, natural, >=96%, FCC, FG; (S)-alpha-terpineol; FCH4019750; (R)-p-Menth-1-en-8-ol; 1-alpha-terpineol; AC1L9E52; J-500016; (S)-(-)-alpha-terpineol; AKOS030231442; CHEBI:128; C09902; Menth-1-en-8-ol; 2-(4-methylcyclohex-3-enyl)propan-2-ol; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, (1R)-; WUOACPNHFRMFPN-VIFPVBQESA-N; TR-001043; 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol, (S)-; α- terpineol; (+)-alpha-Terpineol; p-Menth-1-en-8-ol (S)-(-)-; ZINC967799; 7785-53-7; (+)-(4R)-alpha-terpineol; (-)-(4S)-alpha-terpineol; DSSTox_GSID_52672; ZB015467; AT-13574; AKOS015913019; alpha,alpha,4-Trimethyl-(1S)-3-Cyclohexene-1-methanol; alpha-Terpinenol; 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol; MolPort-003-939-209; bmse000667; Tox21_303728; (1R)-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol; LMPR0102090028; (R)-(+)-alpha-Terpineol; (4R)-p-menth-1-en-8-ol; (S)-(-)-Terpineol; L-alpha-TERPINEOL; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, (S)-; alpha-terpineole; Terpineol, .alpha.; AC1L9CYK |
| Ingredient_formula: C10H18O | Ingredient_Smile: CC1=CCC(CC1)C(C)(C)O |
| Ingredient_weight: 154.25 | OB_score: 34.00869756 |
| PubChem_id: 442501 | EC: 1.1.1.207 [VIEW IN KEGG] 1.1.1.208 [VIEW IN KEGG] 1.3.1.81 [VIEW IN KEGG] 1.14.13.105 [VIEW IN KEGG] 4.2.3.11 [VIEW IN KEGG] 1.1.1.183 [VIEW IN KEGG] 1.1.1.347 [VIEW IN KEGG] 1.14.14.83 [VIEW IN KEGG] 3.1.7.3 [VIEW IN KEGG] 3.1.7.11 [VIEW IN KEGG] 5.4.4.4 [VIEW IN KEGG] 5.4.4.8 [VIEW IN KEGG] 1.1.1.198 [VIEW IN KEGG] 2.3.1.69 [VIEW IN KEGG] 1.1.1.227 [VIEW IN KEGG] 1.1.1.322 [VIEW IN KEGG] 4.2.3.10 [VIEW IN KEGG] 1.14.14.84 [VIEW IN KEGG] 1.14.14.56 [VIEW IN KEGG] 1.14.14.133 [VIEW IN KEGG] 4.2.3.108 [VIEW IN KEGG] 3.1.7.13 [VIEW IN KEGG] 4.2.3.112 [VIEW IN KEGG] 4.2.3.26 [VIEW IN KEGG] 4.2.1.127 [VIEW IN KEGG] 4.2.3.25 [VIEW IN KEGG] 4.2.3.111 [VIEW IN KEGG] 1.1.1.296 [VIEW IN KEGG] 1.1.1.323 [VIEW IN KEGG] |
| Ingredient_name: α-tocopherol | Alias: alpha-tocopherol |
| Ingredient_formula: C29H50O2 | Ingredient_Smile: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
| Ingredient_weight: 430.7 g/mol | OB_score: NA |
| PubChem_id: 6560141 | EC: 2.1.1.95 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] |
| Ingredient_name: arachidic acid | Alias: n-eicosanoate; eicosanoate; CHEBI:32360; CH3-[CH2]18-COO(-); arachidinate; CH3-[CH2]18-COO(-1); icosanoate; 2lbv; icosanoic acid (n-C20:0); eicosoate; AC1NUU24; arachidicacid |
| Ingredient_formula: C20H40O2 | Ingredient_Smile: CCCCCCCCCCCCCCCCCCCC(=O)O |
| Ingredient_weight: 312.53 | OB_score: NA |
| PubChem_id: 10467 | EC: 6.2.1.24 [VIEW IN KEGG] 3.1.2.2 [VIEW IN KEGG] |
| Ingredient_name: beta-sitosterol | Alias: 24.alpha.-Ethylcholesterol; alpha-Dihydrofucosterol; 83-46-5; MEGxp0_001710; SPBio_002950; 16-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 16-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 24beta-Ethylcholesterol; SKF 14463; Prestwick1_000985; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; S1270_SIGMA; Angelicin (steroid); 5-Stigmasten-3beta-ol; Cinchol; ZINC04095717; A840577; Stigmasterol, 22,23-dihydro-; NSC49083; BSPBio_001049; Harzol; .beta.-Sitosterin; beta-Sitosterol; β-sitosterol; Prestwick0_000985; Prestwick3_000985; BPBio1_001155; .beta.Sitosterin; Prestwick2_000985; S9889_SIGMA; Cupreol; 24-Ethylcholest-5-en-3.beta.-ol; .alpha.-Dihydrofucosterol; SBB012603; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Rhamnol; AIDS-011900; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 47133_SUPELCO; (3beta)-Stigmast-5-en-3-ol; beta-sitosterol ; ACon1_000287; LMST01040129; β-sitos-terol; alpha.Dihydrofucosterol; SMP1_000274; NSC8096; Stigmast-5-en-3-ol, (3.beta.)-; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; .beta.-Sitosterol; .beta.Sitosterol; NSC18173; Stigmast-5-en-3.beta.-ol; Sito-Lande; SITOSTEROL, BETA; β- sitosterol; C01753; Quebrachol; AIDS011900; NCI60_041777; Sitosterol beta; S5753_SIGMA; Triastonal; 22,23-Dihydrostigmasterol |
| Ingredient_formula: C29H50O | Ingredient_Smile: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Ingredient_weight: 414.71 | OB_score: 36.91390583 |
| PubChem_id: 222284 | EC: 1.14.19.41 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] 1.3.1.72 [VIEW IN KEGG] |
| Ingredient_name: Bicyclo(3.1.0)hexan-3-ol | Alias: NA |
| Ingredient_formula: C12H18O2 | Ingredient_Smile: CC(C)C12CC1C(=C)C(C2)OC(=O)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: campesterol | Alias: campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 |
| Ingredient_formula: C28H48O | Ingredient_Smile: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| Ingredient_weight: 400.68 | OB_score: 5.568612527 |
| PubChem_id: 134766514 | EC: 5.3.3.5 [VIEW IN KEGG] 1.1.1.170 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.14.18.9 5.3.3.5 [VIEW IN KEGG] 1.3.1.22 [VIEW IN KEGG] 1.14.14.178 [VIEW IN KEGG] |
| Ingredient_name: Campesteryl ferulate | Alias: campesteryl ferulate |
| Ingredient_formula: C38H56O4 | Ingredient_Smile: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C |
| Ingredient_weight: 576.85 | OB_score: 22.09784892 |
| PubChem_id: 15056832 | EC: 2.1.1.114 [VIEW IN KEGG] 1.14.99.60 [VIEW IN KEGG] 2.1.1.64 [VIEW IN KEGG] |
| Ingredient_name: cholesterol | Alias: 8(14)-dehydrocholesterol; 177962-82-2; SCHEMBL5347436; cholesta-5,8(14)-dien-3beta-ol; DJNCIOAUQVURTQ-RQZUOROGSA-N |
| Ingredient_formula: C27H46O | Ingredient_Smile: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| Ingredient_weight: 386.65 | OB_score: 5.685229489 |
| PubChem_id: 5997 | EC: 1.1.1.145 [VIEW IN KEGG] 1.1.3.6 [VIEW IN KEGG] 1.3.1.21 [VIEW IN KEGG] 1.3.1.72 [VIEW IN KEGG] 1.14.14.23 [VIEW IN KEGG] 1.14.14.25 [VIEW IN KEGG] 1.14.15.6 [VIEW IN KEGG] 1.14.15.15 [VIEW IN KEGG] 1.14.19.21 [VIEW IN KEGG] 1.14.99.38 [VIEW IN KEGG] 2.3.1.26 [VIEW IN KEGG] 2.3.1.73 [VIEW IN KEGG] 2.8.2.2 [VIEW IN KEGG] 2.8.2.14 [VIEW IN KEGG] 3.1.1.13 [VIEW IN KEGG] 3.1.6.2 [VIEW IN KEGG] 3.2.1.104 [VIEW IN KEGG] 5.3.3.1 [VIEW IN KEGG] 1.1.1.170 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] 1.14.19.20 [VIEW IN KEGG] 5.3.3.5 [VIEW IN KEGG] 1.3.1.3 [VIEW IN KEGG] 1.3.1.22 [VIEW IN KEGG] |
| Ingredient_name: Cholesteryl ferulate | Alias: AC1NSTJT; cholesteryl ferulate; [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Ingredient_formula: C37H54O4 | Ingredient_Smile: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C |
| Ingredient_weight: 562.8 g/mol | OB_score: 22.42538976 |
| PubChem_id: 22375086 | EC: 2.1.1.114 [VIEW IN KEGG] |
| Ingredient_name: Cis- linalool oxide | Alias: cis-linalool oxide |
| Ingredient_formula: C10H18O2 | Ingredient_Smile: CC1(CCC(O1)C(C)(C)O)C=C |
| Ingredient_weight: 170.25 g/mol | OB_score: NA |
| PubChem_id: 11116492 | EC: 1.1.1.241 [VIEW IN KEGG] 1.14.14.133 [VIEW IN KEGG] 1.14.14.84 [VIEW IN KEGG] 1.1.1.297 [VIEW IN KEGG] 3.3.2.8 [VIEW IN KEGG] 1.1.1.324 [VIEW IN KEGG] 1.14.14.83 [VIEW IN KEGG] 1.14.13.105 [VIEW IN KEGG] 3.1.1.83 [VIEW IN KEGG] 1.14.14.56 [VIEW IN KEGG] 2.2.1.12 [VIEW IN KEGG] |
| Ingredient_name: delta-Terpineol | Alias: ZINC5439913; 7299-42-5; EINECS 230-739-6; a,a-Dimethyl-4-methylenecyclohexanemethanol; delta-terpineol; 2-(4-methylenecyclohexyl)propan-2-ol; .delta.-Terpineol; AC1L31XQ; SCHEMBL10779826; 2-(4-methylidenecyclohexyl)propan-2-ol; alpha,alpha-Dimethyl-4-methylenecyclohexanemethanol; D-Terpineol; DTXSID90223266; .alpha.,.alpha.-Dimethyl-4-methylenecyclohexanemethanol; p-Menth-1(7)-en-8-ol; CTK5D7208; SQIFACVGCPWBQZ-UHFFFAOYSA-N; AC1Q76LP; Cyclohexanemethanol, .alpha.,.alpha.-dimethyl-4-methylene- |
| Ingredient_formula: C10H18O | Ingredient_Smile: CC(C)(C1CCC(=C)CC1)O |
| Ingredient_weight: 154.25 | OB_score: 55.10994784 |
| PubChem_id: 81722 | EC: 1.1.1.207 [VIEW IN KEGG] 1.1.1.208 [VIEW IN KEGG] 1.3.1.81 [VIEW IN KEGG] 1.14.13.105 [VIEW IN KEGG] 4.2.3.11 [VIEW IN KEGG] 1.1.1.183 [VIEW IN KEGG] 1.1.1.347 [VIEW IN KEGG] 1.14.14.83 [VIEW IN KEGG] 3.1.7.3 [VIEW IN KEGG] 3.1.7.11 [VIEW IN KEGG] 5.4.4.4 [VIEW IN KEGG] 5.4.4.8 [VIEW IN KEGG] 1.1.1.198 [VIEW IN KEGG] 2.3.1.69 [VIEW IN KEGG] 1.1.1.227 [VIEW IN KEGG] 1.1.1.322 [VIEW IN KEGG] 4.2.3.10 [VIEW IN KEGG] 1.14.14.84 [VIEW IN KEGG] 1.14.14.56 [VIEW IN KEGG] 1.14.14.133 [VIEW IN KEGG] 4.2.3.108 [VIEW IN KEGG] 3.1.7.13 [VIEW IN KEGG] 4.2.3.112 [VIEW IN KEGG] 4.2.3.26 [VIEW IN KEGG] 4.2.1.127 [VIEW IN KEGG] 4.2.3.25 [VIEW IN KEGG] 4.2.3.111 [VIEW IN KEGG] 1.1.1.296 [VIEW IN KEGG] 1.1.1.323 [VIEW IN KEGG] |
| Ingredient_name: dibutyl phthalate | Alias: 1,2-Benzenedi(carboxylic-14C)acid, dibutyl ester; dibutylphthalate; DIBUTYL PHTHALATE (CARBONYL-14C); AC1L587Y; 66851-47-6; Dibutyl phthalate |
| Ingredient_formula: C16H22O4 | Ingredient_Smile: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| Ingredient_weight: 282.33 g/mol | OB_score: NA |
| PubChem_id: 171810 | EC: 3.1.1.60 [VIEW IN KEGG] |
| Ingredient_name: Diphyllin | Alias: Oprea1_318204; NSC 309691; 9-Benzo[1,3]dioxol-5-yl-4-hydroxy-6,7-dimethoxy-3H-naphtho[2,3-c]furan-1-one; 9-(13-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one; ZINC00828203; 4-Hydroxy-6,7-dimethoxy-9-[3,4-(methylenedioxy)phenyl]-naphtho[2,3-c]furan-1(3H)-one; MLS000106853; STOCK1N-00276; SMR000111229; 22055-22-7; 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzoxol-1-one; C10559; 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one; NSC309691; Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-; Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-6,7-dimethoxy-9-(3,4-(methylenedioxy)phenyl)-; BAS 00442101; Oprea1_135417; diphyllin |
| Ingredient_formula: C21H16O7 | Ingredient_Smile: COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC |
| Ingredient_weight: 380.35 | OB_score: 36.22847056 |
| PubChem_id: 100492 | EC: - |
| Ingredient_name: (E)-3,7,11,15-Tetramethy-2-Hexadecene-1-Ol(Phytol) | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: (E)-3,7,11-trimethyl-1,6,10-Cyclododecatriene-3-ol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: (E)-3,7-dimethyl-2,6- octadiene-1-ol | Alias: NA |
| Ingredient_formula: C17H22O2 | Ingredient_Smile: CC(=CCCC(=CCOC(=O)C1=CC=CC=C1)C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: epicatechin-(2β→o→7,4β→6)-catechin | Alias: NA |
| Ingredient_formula: C30H24O12 | Ingredient_Smile: C1C(C(OC2=C3C4C(C(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: epicatechin-(2β→o→7,4β→6)-ent-catechin | Alias: NA |
| Ingredient_formula: C30H24O12 | Ingredient_Smile: C1C(C(OC2=C3C4C(C(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: epicatechin-(2β→o→7,4β→6)-[epicatechin-(4β→8)]-catechin | Alias: NA |
| Ingredient_formula: C45H36O18 | Ingredient_Smile: C1C(C(OC2=C(C3=C(C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)C(=C21)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: epicatechin-(2β→o→7,4β→8)-ent-epicatechin | Alias: NA |
| Ingredient_formula: C30H24O12 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: epicatechin-(2β→o→7,4β→8)epicatechin-(4α→8)-catechin-(4α→8)-epicatechin | Alias: NA |
| Ingredient_formula: C60H48O24 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=C7C8C(C(OC9=CC(=CC(=C89)O)O)(OC7=CC(=C56)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: epicatechin-(4β→6,2β→o→7)-ent-epicatechin | Alias: NA |
| Ingredient_formula: C30H24O12 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: formononetin | Alias: Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 |
| Ingredient_formula: C16H12O4 | Ingredient_Smile: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O |
| Ingredient_weight: 268.26 | OB_score: 69.67388061 |
| PubChem_id: 5280378 | EC: 1.14.14.88 [VIEW IN KEGG] 1.14.14.89 [VIEW IN KEGG] 1.14.14.90 [VIEW IN KEGG] 2.1.1.46 [VIEW IN KEGG] 2.4.1.170 [VIEW IN KEGG] 4.2.1.105 [VIEW IN KEGG] 2.1.1.150 [VIEW IN KEGG] |
| Ingredient_name: gamma-amino-alpha-methylene butyric acid | Alias: NA |
| Ingredient_formula: C5H9NO2 | Ingredient_Smile: C=C(CCN)C(=O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.5.1.1 [VIEW IN KEGG] 1.5.1.2 [VIEW IN KEGG] 1.5.1.21 [VIEW IN KEGG] 1.5.1.49 [VIEW IN KEGG] 1.5.5.2 [VIEW IN KEGG] 1.14.11.2 [VIEW IN KEGG] 1.14.11.28 [VIEW IN KEGG] 1.14.11.56 [VIEW IN KEGG] 1.14.11.57 [VIEW IN KEGG] 3.4.11.5 [VIEW IN KEGG] 3.5.1.101 [VIEW IN KEGG] 4.3.1.12 [VIEW IN KEGG] 5.1.1.4 [VIEW IN KEGG] 6.1.1.15 [VIEW IN KEGG] 6.2.1.53 [VIEW IN KEGG] 1.4.1.12 [VIEW IN KEGG] 1.4.3.3 [VIEW IN KEGG] 1.5.99.13 [VIEW IN KEGG] 1.21.4.1 [VIEW IN KEGG] 1.5.3.13 [VIEW IN KEGG] 1.5.3.17 [VIEW IN KEGG] |
| Ingredient_name: Isovanillic acid | Alias: BRN 2208365; Benzoic acid, 3-hydroxy-4-methoxy-; ST5406548; InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11; 3-Hydroxyanisic acid; 220108_ALDRICH; Acide isovanillique; 3-HYDROXY-4-METHOXYBENZOIC ACID; isovanillic acid; EINECS 211-430-5; p-Anisic acid, 3-hydroxy-; 3-Hydroxy-p-anisic acid; 3-hydroxy-4-methoxy-benzoic acid |
| Ingredient_formula: C8H8O4 | Ingredient_Smile: COC1=C(C=C(C=C1)C(=O)O)O |
| Ingredient_weight: 168.15 | OB_score: 39.42393771 |
| PubChem_id: 12575 | EC: 1.13.11.5 [VIEW IN KEGG] 1.13.11.27 [VIEW IN KEGG] 1.14.13.18 [VIEW IN KEGG] 1.14.13.63 [VIEW IN KEGG] 2.5.1.115 [VIEW IN KEGG] 2.5.1.116 [VIEW IN KEGG] 2.5.1.117 [VIEW IN KEGG] 1.2.1.5 [VIEW IN KEGG] 1.2.1.29 [VIEW IN KEGG] 1.2.1.39 [VIEW IN KEGG] 1.13.11.15 [VIEW IN KEGG] 1.14.12.9 [VIEW IN KEGG] 1.14.14.9 [VIEW IN KEGG] 2.1.1.6 [VIEW IN KEGG] 3.1.1.40 [VIEW IN KEGG] 4.1.1.58 [VIEW IN KEGG] 1.1.3.19 [VIEW IN KEGG] 1.1.3.46 [VIEW IN KEGG] 1.1.99.31 [VIEW IN KEGG] 1.13.11.46 [VIEW IN KEGG] 1.14.16.6 [VIEW IN KEGG] 5.1.2.2 [VIEW IN KEGG] 1.1.1.1 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 1.2.1.67 [VIEW IN KEGG] 1.2.3.9 [VIEW IN KEGG] 1.14.13.82 [VIEW IN KEGG] 2.1.1.341 [VIEW IN KEGG] 2.1.1.382 [VIEW IN KEGG] 2.4.1.300 [VIEW IN KEGG] 1.13.11.2 [VIEW IN KEGG] 3.7.1.9 [VIEW IN KEGG] 1.14.13.1 [VIEW IN KEGG] 1.3.1.19 [VIEW IN KEGG] 2.3.1.272 [VIEW IN KEGG] 3.7.1.24 [VIEW IN KEGG] |
| Ingredient_name: leucocyanidin | Alias: (2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,4,5,7-TETROL; ZINC4096940; (2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,4alpha,5,7-tetrol; 867061-09-4 |
| Ingredient_formula: C15H14O7 | Ingredient_Smile: C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O |
| Ingredient_weight: 306.27 g/mol | OB_score: NA |
| PubChem_id: 71629 | EC: 1.1.1.219 [VIEW IN KEGG] 1.14.20.4 [VIEW IN KEGG] 1.17.1.3 [VIEW IN KEGG] 1.3.1.77 [VIEW IN KEGG] |
| Ingredient_name: leucodelphinidin | Alias: Leucodelphinidin; CHEMBL460265 |
| Ingredient_formula: C15H14O8 | Ingredient_Smile: C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O |
| Ingredient_weight: 322.27 | OB_score: 43.44802103 |
| PubChem_id: 44563331 | EC: 1.1.1.219 [VIEW IN KEGG] 1.14.20.4 [VIEW IN KEGG] 1.17.1.3 [VIEW IN KEGG] |
| Ingredient_name: limonene | Alias: (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene; 47MAJ1Y2NE; 1-Methyl-4-(1-methylethenyl)cyclohexene, (S)-; ZB015524; (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene; KS-00000X9Q; (S)-(-)-Limonene, analytical standard; AK122299; 5989-54-8; 4alphaH-p-mentha-1,8-diene; limonene ; ZINC968226; (S)-4-Isopropenyl-1-methyl cyclohexene; AC1L96Z5; L0132; DSSTox_GSID_47078; 4-Isopropenyl-1-methyl-1-cyclohexene #; (S)-1-methyl-4-(1-methylethenyl)cyclohexene; (S)-(-)-Limonene, 96%; L-Limonen; DSSTox_RID_82091; (4S)-4-isopropenyl-1-methylcyclohexene; S-(-)-Limonene; (S)-(-)-Limonene, >=95%, FG; NCGC00256073-01; (4S)-limonene; (S)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene; (-)-(S)-Limonene; CAS-5989-54-8; KB-63360; CHEBI:15383; (S)-(-)-p-mentha-1,8-diene; beta-Limonene; Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4S)-; (S)-(-)-Limonene; Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-; EC 227-815-6; DTXSID6047078; Limonene, (-)-; UNII-47MAJ1Y2NE; MFCD00001558; MolPort-003-927-778; (-)-Limonene; l-Limonene; FCH1120157; FT-0605227; (S)-p-Mentha-1,8-diene; C00521; Limonene, L-; (S)-(-)-Limonene, purum, >=95.0% (sum of enantiomers, GC); (4S)-1-methyl-4-(1-methyl ethenyl) cyclohexene; P-Mentha-1,8-diene, (S)-(-)-; (-)-p-Mentha-1,8-diene; (4S)-1-methyl-4-isopropenylcyclohex-1-ene; XMGQYMWWDOXHJM-SNVBAGLBSA-N; CHEMBL236688; Tox21_302295; LMPR0102090002; AJ-24580; (S)-(?)-Limonene; (-)-(4S)-Limonene; laevo-limonene; 7721/11/1; (S)-Limonene; AI3-25390; UNII-9MC3I34447 component XMGQYMWWDOXHJM-SNVBAGLBSA-N; (-)-Carvene; W-110076; DSSTox_CID_27078; EINECS 227-815-6 |
| Ingredient_formula: C10H16 | Ingredient_Smile: CC1=CCC(CC1)C(=C)C |
| Ingredient_weight: 136.23 g/mol | OB_score: NA |
| PubChem_id: 22311 | EC: 1.14.13.107 [VIEW IN KEGG] 1.14.14.51 [VIEW IN KEGG] 1.14.14.52 [VIEW IN KEGG] 1.14.14.99 [VIEW IN KEGG] 1.17.99.8 [VIEW IN KEGG] 4.2.3.16 [VIEW IN KEGG] 1.14.14.31 [VIEW IN KEGG] 4.2.1.127 [VIEW IN KEGG] 4.2.3.15 [VIEW IN KEGG] 4.2.3.113 [VIEW IN KEGG] 1.14.14.53 [VIEW IN KEGG] 4.2.3.20 [VIEW IN KEGG] 4.2.3.116 [VIEW IN KEGG] 4.2.3.117 [VIEW IN KEGG] 4.2.3.114 [VIEW IN KEGG] 4.2.3.107 [VIEW IN KEGG] 4.2.3.51 [VIEW IN KEGG] 4.2.3.122 [VIEW IN KEGG] 4.2.3.177 [VIEW IN KEGG] 1.14.13.153 [VIEW IN KEGG] 4.2.3.110 [VIEW IN KEGG] 4.2.3.105 [VIEW IN KEGG] 4.2.3.109 [VIEW IN KEGG] 4.2.3.115 [VIEW IN KEGG] 4.2.3.121 [VIEW IN KEGG] 4.2.3.120 [VIEW IN KEGG] 4.2.3.119 [VIEW IN KEGG] 4.2.3.106 [VIEW IN KEGG] |
| Ingredient_name: linolein | Alias: NA |
| Ingredient_formula: C57H98O6 | Ingredient_Smile: CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC |
| Ingredient_weight: 879.4 g/mol | OB_score: 32.49675529 |
| PubChem_id: 79042 | EC: - |
| Ingredient_name: luteolin | Alias: Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone |
| Ingredient_formula: C15H10O6 | Ingredient_Smile: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Ingredient_weight: 286.24 | OB_score: 36.16262934 |
| PubChem_id: 5280445 | EC: 1.14.14.81 [VIEW IN KEGG] 1.14.14.82 [VIEW IN KEGG] 1.14.19.76 [VIEW IN KEGG] 1.14.20.5 [VIEW IN KEGG] 2.1.1.42 [VIEW IN KEGG] 2.4.1.81 [VIEW IN KEGG] 2.4.1.189 [VIEW IN KEGG] 1.14.20.6 [VIEW IN KEGG] 2.1.1.76 [VIEW IN KEGG] 2.1.1.155 [VIEW IN KEGG] 2.4.1.91 [VIEW IN KEGG] 2.4.1.234 [VIEW IN KEGG] 2.4.2.56 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] 1.14.14.90 [VIEW IN KEGG] |
| Ingredient_name: luteolin 7-o-beta-d-galatoside | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Medicarpin | Alias: (-)-Demethylhomopterocarpin; (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2c][1]benzopyran-3-ol; Demethylhomopterocarpin; (-)-Medicarpin; AIDS031298; C10503; (-) Medicarpin; l-3-Hydroxy-9-methoxypterocarpan; NSC350085; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol; 6H-Benzofuro[3, 2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; NCI60_003118; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol; AIDS-031298; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-; (l)-De-o-methylhomopterocarpan; (-)-3-Hydroxy-9-methoxypterocarpan; 3-Hydroxy-9-methoxypterocarpan, (-); MEGxp0_001319; 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-; (6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzoxolo[3,2-c]chromen-3-ol; medicarpin; CHEBI:16114; 32383-76-9; ACon1_001568 |
| Ingredient_formula: C16H14O4 | Ingredient_Smile: COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O |
| Ingredient_weight: 270.28 | OB_score: 49.21981761 |
| PubChem_id: 623060 | EC: 2.4.1.170 [VIEW IN KEGG] 4.2.1.139 [VIEW IN KEGG] 2.1.1.154 [VIEW IN KEGG] |
| Ingredient_name: methyl palmitate | Alias: AN-22050; AX8129465; Ethyl palmitate, >=99%; 76159_FLUKA; NSC 4197; XIRNKXNNONJFQO-UHFFFAOYSA-N; MCULE-8045613210; Ethyl hexadecanoate (ethyl palmitate); Methyl n-hexadecanoate; ZX-AT010664; Methyl hexadecanate; HSDB 5570; DSSTox_RID_82388; Uniphat A60; C-28203; QSPL 205; EINECS 211-064-6; AI3-03509; AKOS004910397; methylpalmitate; UNII-IRD3M534ZM; KSC489Q3H; HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2; Methyl palmitate; IRD3M534ZM; 628-97-7; FT-0625787; MolPort-003-938-952; Ethyl palmitate, United States Pharmacopeia (USP) Reference Standard; Ethyl palmitate, natural (US), >=95%, FG; P5177_SIGMA; Hexadecanoic acid, ethyl ester; Hexadecanoic acid,ethyl ester; ST50713061; Palmitic acid methyl ester; Ethyl palmitate (natural); ZINC64858950; NSC 8918; FEMA No. 2451; TL8004307; ACMC-1B23F; hexadecanoic acid ethyl ester; SR-01000946821-1; 112-39-0; Ethyl n-hexadecanoate; n-Hexadecanoic acid methyl ester; Ethyl hexadecanoate; LMFA07010471; OR6037; DB-054321; KS-00000YI2; NSC-8918; Methyl hexadecanoate; AK116965; WE(2:0/16:0); P0003; EINECS 203-966-3; RP29911; ETHYL PALMITATE; Palmitic acid, ethyl ester; HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2; Palmitic acid ethyl ester; Ethylpalmitate; CHEMBL3561042; Hexadecanoic acid, methyl ester; CAS-628-97-7; AIDS017645; Ethyl palmitate, >=95%, FG; Metholene 2216; CTK3I9833; QSPL 171; SR-01000946821; DTXSID2047511; FEMA 2451; ANW-34435; hexadecanoic acid methyl ester; AIDS-017645; Ethyl palmitate, analytical standard; Palmitic acid, methyl ester (8CI); NSC4197; NSC8918; HMS3650O17; AI3-06331; KB-253996; W509531_ALDRICH; DSSTox_CID_27511; QSPL 072; DSSTox_GSID_47511; CHEBI:84932; RTR-021647; A801217; SBB061075; Tox21_302505; NCGC00256913-01; InChI=1/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H; Ethyl cetylate; SCHEMBL120620; ST24030690; MFCD00008996; TR-021647; Ethyl palmitate, Vetec(TM) reagent grade, 95%; CC-28198; Palmitic acid ethyl; Palmitic acid, ethyl ester (8CI); AC1L1ZFU; I14-19376; Palmitic acid, methyl ester |
| Ingredient_formula: C17H34O2 | Ingredient_Smile: CCCCCCCCCCCCCCCC(=O)OCC |
| Ingredient_weight: 270.45 | OB_score: 18.08756063 |
| PubChem_id: 12366 | EC: - |
| Ingredient_name: myristic acid | Alias: 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 |
| Ingredient_formula: C14H28O2 | Ingredient_Smile: CCCCCCCCCCCCCC(=O)O |
| Ingredient_weight: 228.37 | OB_score: 21.18117264 |
| PubChem_id: 11005 | EC: 3.1.2.14 [VIEW IN KEGG] |
| Ingredient_name: (-)- myrtenol | Alias: (-)-Myrtenol |
| Ingredient_formula: C10H16O | Ingredient_Smile: CC1(C2CC=C(C1C2)CO)C |
| Ingredient_weight: 152.23 g/mol | OB_score: NA |
| PubChem_id: 88301 | EC: 1.1.1.198 [VIEW IN KEGG] 1.14.13.161 [VIEW IN KEGG] 1.14.15.1 [VIEW IN KEGG] 1.3.1.81 [VIEW IN KEGG] 1.14.14.143 [VIEW IN KEGG] 1.14.15.10 [VIEW IN KEGG] 1.1.1.227 [VIEW IN KEGG] 1.1.1.243 [VIEW IN KEGG] 1.14.14.51 [VIEW IN KEGG] 1.1.1.322 [VIEW IN KEGG] 1.1.1.296 [VIEW IN KEGG] 1.3.99.25 [VIEW IN KEGG] 1.14.13.105 [VIEW IN KEGG] 1.1.1.323 [VIEW IN KEGG] 1.1.1.386 [VIEW IN KEGG] 1.14.14.31 [VIEW IN KEGG] 1.17.99.8 [VIEW IN KEGG] 1.1.1.223 [VIEW IN KEGG] 1.14.14.99 [VIEW IN KEGG] 1.1.1.183 [VIEW IN KEGG] 1.1.1.347 [VIEW IN KEGG] 1.2.1.86 [VIEW IN KEGG] 1.1.1.228 [VIEW IN KEGG] 1.14.13.153 [VIEW IN KEGG] 1.1.1.144 [VIEW IN KEGG] 1.14.14.52 [VIEW IN KEGG] 5.5.1.10 [VIEW IN KEGG] 1.14.13.107 [VIEW IN KEGG] 3.3.2.8 [VIEW IN KEGG] 1.1.1.275 [VIEW IN KEGG] 1.14.14.53 [VIEW IN KEGG] 1.3.1.82 [VIEW IN KEGG] |
| Ingredient_name: N-(4-methoxyphenyl)-2-acrylamide | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: N- palmitic acid | Alias: n-palmitic acid; n-Palmiticacid |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: pentadecanoic acid | Alias: pentadecanoicacid; CHEBI:78795; pentadecanoate |
| Ingredient_formula: C15H30O2 | Ingredient_Smile: CCCCCCCCCCCCCCC(=O)[O-] |
| Ingredient_weight: 242.4 | OB_score: NA |
| PubChem_id: 22169126 | EC: - |
| Ingredient_name: phenylacetaldehyde | Alias: NA |
| Ingredient_formula: C8H8O | Ingredient_Smile: C1=CC=C(C=C1)CC=O |
| Ingredient_weight: 120.15 | OB_score: NA |
| PubChem_id: 998 | EC: 1.1.1.90 [VIEW IN KEGG] 1.2.1.5 [VIEW IN KEGG] 1.2.1.39 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 1.4.3.21 [VIEW IN KEGG] 1.4.9.2 [VIEW IN KEGG] 4.1.1.43 [VIEW IN KEGG] 4.1.1.109 [VIEW IN KEGG] 5.3.99.7 [VIEW IN KEGG] |
| Ingredient_name: preschisanthrin | Alias: NA |
| Ingredient_formula: C22H30O6 | Ingredient_Smile: CC(CC1=CC(=C(C(=C1)OC)O)OC)C(C)CC2=CC(=C(C(=C2)OC)O)OC |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: proanthocyanidin a1 | Alias: NA |
| Ingredient_formula: C30H24O12 | Ingredient_Smile: C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O |
| Ingredient_weight: 576.5 g/mol | OB_score: NA |
| PubChem_id: 9872976 | EC: - |
| Ingredient_name: proanthocyanidin a2 | Alias: NA |
| Ingredient_formula: C30H24O12 | Ingredient_Smile: C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O |
| Ingredient_weight: 576.5 g/mol | OB_score: NA |
| PubChem_id: 124025 | EC: - |
| Ingredient_name: proanthocyanidin b2 | Alias: 29106-49-8; AC1L3V5O; EC-(4b,8)-EC; SC-83395; Procyanidol B2; (+)-Procyanidin B2; CS-5982; (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; AK554017; (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; Procyanidin dimer B2; (-)-Epicatechin-(4.beta.-8)-(-)-epicatechin; X1213; XFZJEEAOWLFHDH-NFJBMHMQSA-N; N2517; L88HKE854X; LMPK12030002; 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]; NSC 623097; Procyanidin B2; cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane); Procyanidin B-2; Ambap29106-49-8; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; C17639; J-017393; Proanthocyanidin B2; ZINC26490614; Procyanidin B2, analytical standard; cis,cis""""-4,8""""-Bi(3,3',4',5,7-pentahydroxyflavane); (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-; CHEMBL38714; Epicathechin-(4beta->8)-epicathechin; (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; FT-0686683; SCHEMBL288579; 2,3-cis-proanthocyanidin; C30H26O12; AC1Q7ABR; MFCD01861513; UNII-L88HKE854X; AKOS008901339; MolPort-003-932-480; CHEBI:75632; HY-N0796; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; X1212; EBD2184995; Procyanidin-B2; (2r,2'r,3r,3'r,4r)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2h,2'h-4,8'-bichromen-3,3',5,5',7,7'-hexol |
| Ingredient_formula: C30H26O12 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Ingredient_weight: 578.5 g/mol | OB_score: NA |
| PubChem_id: 11250133 | EC: - |
| Ingredient_name: procyanidin b3 | Alias: Procyanidin B-3; DTXSID60178193; CHEBI:75630; ZINC42804873; Catechin(4a->8)catechin; SCHEMBL677697; Catechin-(4.alpha.-->8)catechin; procyanidin b-3; (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; catechin-(4alpha->8)-catechin; AC1L3TXE; BG01191727; AK109414; (2R-(2alpha,3beta,4alpha(2'R*,3'S*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; (2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; Ambotz20315-25-7; (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R-(2alpha,3beta,4alpha(2'R*,3'S*)))-; Procyanidin B3; UNII-2TC1A0KEAQ; 2TC1A0KEAQ; C-(4a,8)-C; LMPK12030003; MolPort-003-959-148; 23567-23-9; CHEMBL501490; (2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; AKOS016009332; Proanthocyanidin B3; XFZJEEAOWLFHDH-AVFWISQGSA-N; (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; 2,3-trans-proanthocyanidin; BDBM50447858 |
| Ingredient_formula: C30H26O12 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Ingredient_weight: 578.5 g/mol | OB_score: NA |
| PubChem_id: 146798 | EC: - |
| Ingredient_name: Procyanidin B4 | Alias: (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol; Catechin-(4.alpha.-->8)epicatechin; (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol; AIDS082355; Catechin-(4alpha->8)-epicatechin; 29106-51-2; (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol; C10238; procyanidin b4; (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3'4,4'-tetrahydro-, (2R-(2alpha,3beta,4alpha(2'R*,3'R*)))-; AIDS-082355 |
| Ingredient_formula: C30H26O12 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Ingredient_weight: 578.52 | OB_score: 14.57739762 |
| PubChem_id: 147299 | EC: - |
| Ingredient_name: Purine | Alias: purine; PURINE-RING; CHEBI:17258; 6H-Imidazo(4,5-d)pyrimidine; 9H-Purine; 3,5,7-TRIAZAINDOLE; AC-907/25014050; X 128; AIDS023033; 120-73-0; EINECS 204-421-2; C00465; P55805_ALDRICH; C15587; 6H-Imidazo[4,5-d]pyrimidine; 82580_FLUKA; SBB004288; InChI=1/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9; ZINC00152268; 7H-Imidazo[4,5-d]pyrimidine; CHEBI:35589; .beta.-Purine; AI3-50208; 3H-purine; AIDS-023033; NSC 753; 1H-Purine; P1655_SIGMA; Imidazo[4,5-d]pyrimidine; 7H-Purine; NSC753; CHEBI:35586; 1H-Purine (9CI); 9H-Purine (VAN); Imidazo(4,5-d)pyrimidine; CHEBI:35588; Isopurine; beta-Purine; 7H-Imidazo(4,5-d)pyrimidine; WLN: T56 BM DN FN HNJ |
| Ingredient_formula: C5H4N4 | Ingredient_Smile: C1=C2C(=NC=N1)N=CN2 |
| Ingredient_weight: 120.11 | OB_score: 51.96728165 |
| PubChem_id: 1044 | EC: 2.4.2.1 [VIEW IN KEGG] 3.2.2.1 [VIEW IN KEGG] |
| Ingredient_name: purpurin | Alias: 1,2,4-trihydroxy-9,10-anthraquinone; LMPK12140007 |
| Ingredient_formula: C14H8O5 | Ingredient_Smile: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
| Ingredient_weight: 256.21 g/mol | OB_score: NA |
| PubChem_id: 6683 | EC: - |
| Ingredient_name: p-xylene | Alias: 28306-EP2289896A1; p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material; 1,4-Dimethylbenzol; p-XYLENE- D10; MFCD00008556; RP18866; 28306-EP2305825A1; 1,4-Dimethylbenzene; KS-00000WZ6; Benzene, 1,4-dimethyl-, oxidized; 68411-39-2; 28306-EP2301918A1; 1,4-Xylene; PXY; AC1Q2QRE; LS-397; DSSTox_RID_76374; A18069; Tox21_201113; 1,4-Dimethylcyclohexane, mixture of cis and trans; DSSTox_GSID_21868; ZINC968254; 106-42-3; p-Xylene 10 microg/mL in Methanol; p-Methyltoluene; ScintiLene? Cocktail; Dimethylbenzene,coking by-products; RL01514; Xylene,coking b; EC 203-396-5; p-Xylene, 99% 100ml; p-Xylene, 5000 ng/microl in Methanol; NSC-72419; p-Xylene, analytical standard; S0649; InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H; p-Xylene, puriss. p.a., >=99.0% (GC); c0083; 4-Xylene; p-Xylene, purum, >=98.0% (GC); SC-79143; AN-22433; CTK0H5985; KSC175S8L; J-524068; URLKBWYHVLBVBO-UHFFFAOYSA-N; BENZENE,1,4-DIMETHYL; STL264212; 95680_FLUKA; 28306-EP2270003A1; PARA XYLENE; Para-Xylene; AI3-52255; NCGC00091661-01; PARA-XYLENE; CCRIS 910; NSC72419; CHEBI:27417; p-Xylene, anhydrous, >=99%; 28306-EP2280003A2; Chromar; WLN: 1R D1; LTBB002309; FT-0689271; p-Xylene; Benzene, 1,4-dimethyl-; ANW-15345; 6WAC1O477V; AKOS000121124; DTXSID2021868; p-Xylene (1,4-Dimethylbenzene); 28306-EP2277867A2; NSC 72419; p-Xylene, SAJ first grade, >=99.0%; Xylene, p-isomer; AS00254; 4-methyltoluene; Solvent xylene; 95682_FLUKA; Scintillar; p-Xylol; Aromatic hydrocarbons, C8, o-xylene-lean; p-Xylenes; p-Xylene, SAJ special grade, >=99.0%; DSSTox_CID_1868; BDBM50008567; 28306-EP2309584A1; AC1L1PLL; 317195_ALDRICH; 1,4-dimethyl benzene; I01-9720; F0001-0120; 4-Methyltoluene; TR-001252; p-Xylene, ReagentPlus(R), 99%; p-Xylene [UN1307] [Flammable liquid]; 28306-EP2380568A1; 28306-EP2314577A1; CJ-04643; NCGC00091661-02; MCULE-3769448716; MolPort-001-783-900; CHEMBL31561; Xylene, p-; SC-65191; p-Xylene, for HPLC, >=99%; TRA0007876; TC-104090; p-Xylene [UN1307] [Flammable liquid]; P-XYLENE; CAS-106-42-3; C06756; NCGC00258665-01; (4-methylphenyl)methyl; 68650-36-2; HSDB 136; 48583_SUPELCO; Benzene, p-dimethyl-; LABOTEST-BB LTBB002309; J-001588; UNII-6WAC1O477V; paraxylene; ACMC-1BROJ; 187l; bmse000834; 134449_ALDRICH; p-Xylene, for synthesis, 99%; ZB015532; 296333_ALDRICH; EINECS 203-396-5; p-Dimethylbenzene |
| Ingredient_formula: C8H10 | Ingredient_Smile: CC1=CC=C(C=C1)C |
| Ingredient_weight: 106.17 | OB_score: 48.74274687 |
| PubChem_id: 7809 | EC: 1.14.15.26 [VIEW IN KEGG] 1.14.12.12 [VIEW IN KEGG] 1.17.99.2 [VIEW IN KEGG] |
| Ingredient_name: resveratrol | Alias: 1,3-Benzenediol, 5-((1Z)-2-(4-hydroxyphenyl)ethenyl)-; cis-3,5,4'-trihydroxystilbene; AIDS025474; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol; SPBio_002356; BPBio1_000479; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; Spectrum4_001896; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; EU-0101111; ST057251; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1; resveratrol ; KBioSS_000454; 1684AH; Spectrum3_001821; STL; CHEBI:36002; SPBio_001513; IDI1_002152; Prestwick1_000508; 05F9DB2A-D7E6-4063-8E5B-F7842CF74A5E; 3,5,4'-Trihydroxystilbene; 3,4',5-trihydroxy stilbene; (Z)-resveratrol; 5-[(Z)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; trans-3,4′,5-Trihydroxystilbene; 31100-06-8; 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; Cis resveratrol; SRT-501; NSC327430; 3,4′,5-Trihydroxy-trans-stilbene; Spectrum_001148; 5-[(1Z)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; NCGC00024003-04; Prestwick3_000508; NCGC00015894-02; Z-5-[2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; NCGC00017352-03; SCHEMBL1931746; 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-; BSPBio_003461; Bio2_000877; InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-; 31100-06-8 (DELETED); Z-Resveratrol; UNII-AUA0K06FSB; 501-36-0; C03582; AKOS025395422; KBio2_004196; KBio3_002965; Prestwick0_000508; NSC 327430; 34092_RIEDEL; KBio3_000848; NCGC00017352-02; Spectrum5_000552; MolPort-003-850-143; NCGC00024003-06; KBio2_005590; SpecPlus_000391; AC1LU7HY; AUA0K06FSB; KBioGR_000454; AIDS-025474; BSPBio_000435; cis-resveratrol; KBio2_006764; KBio2_001628; KBioGR_002457; CHEMBL87333; 3,4',5-Trihydroxystilbene; Lopac-R-5010; (E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol; KBio2_000454; Resveratrol, (Z)-; SGCUT00007; CJ-13797; NCGC00024003-07; Resveratrol (Z)-form [MI]; NCGC00017352-01; I14-7425; DivK1c_006487; MolMap_000045; 3,4',5-Stilbenetriol; Oprea1_727238; Tocris-1418; DB-072954; NCGC00017352-04; BSPBio_001114; BDBM50131698; 434C671; LUKBXSAWLPMMSZ-UPHRSURJSA-; KBio3_000847; CAS-501-36-0; SMP1_000257; 4q93; MLS000069735; cis-5-[2-(4-Hydroxyphenyl)ethenyl]benzene-1,3-diol; ZINC00006787; (Z)-3,5,4'-trihydroxystilbene; to_000079; SPECTRUM1502223; trans-Resveratrol; R5010_SIGMA; KBio2_003022; 61434-67-1; NCGC00024003-02; NCGC00015894-01; CHEBI:27881; Resveratrol; AC-24235; (E)-resveratrol; Prestwick_619; 5-[2-(4-hydroxyphenyl)vinyl]resorcinol; SMR000058206; TNP00294; Resveratrol, Z-; ZINC12353732; Lopac0_001111; cis-3,4',5-trihydroxystilbene; NCI60_002840; 5-[(E)-2-(4-hydroxyphenyl)vinyl]resorcinol; Bio2_000397; NCGC00024003-00; (Z)-3,4',5-trihydroxystilbene; 3,5-Dihydroxy-4'-methoxystilbene; 3, 5,4'-trihydroxy-trans-stilbene; cis-3,4,5-Trihydroxystilbene; NCGC00024003-08; RM-1812; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; 5-[2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; SDCCGMLS-0002998.P003; KBioSS_001628; KBio1_001431; 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; CHEBI:45713; Spectrum2_001497; Prestwick2_000508; 3,5,4'-Trihydroxy-trans-stilbene |
| Ingredient_formula: C14H12O3 | Ingredient_Smile: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
| Ingredient_weight: 228.24 | OB_score: 19.07304353 |
| PubChem_id: 445154 | EC: 2.1.1.240 [VIEW IN KEGG] 2.3.1.95 [VIEW IN KEGG] |
| Ingredient_name: stigmasterol | Alias: (3beta,22E)-Stigmasta-5,22-dien-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; stigmasta-5,22E-dien-3beta-ol; 24-Ethyl-5,22-cholestadien-3beta-ol; (24S)-Stigmast-5,22-dien-3beta-ol; Stigmasterin; Stigmasta-5,22-dien-3-ol, (3beta,22E)- (9CI); (24S)-5,22-Stigmastadien-3beta-ol; CCRIS 7476; NSC 8095; Delta5-Stigmasterol; (24S)-24-Ethylcholesta-5,22-dien-3beta-ol; AIDS-002709; Stigmasta-5,22-dien-3beta-ol (8CI); C05442; SBB012602; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; beta-Stigmasterol; stigmasta-5,22-dien-3-ol; ZINC04096712; Delta5,22-Stigmastadien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; stigmasterol ; SMP1_000280; Stigmasta-5,22-dien-3-ol, (3beta,22E)-; Stigmasta-5,22-dien-3-ol, (3beta)-; (3.beta.,22E)-Stigmasta-5,22-dien-3-ol; Stigmasta-5,22-dien-3-beta-ol; EINECS 201-482-7; 83-48-7; LMST01040123; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Stigmasta-5,22-dien-3beta-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; QSPL 173; Stigmasterol; .delta.5,22-Stigmastadien-3.beta.-ol; AIDS002709; 24-Ethyl-5,22-cholestadien-3.beta.-ol; D5-Stigmasterol |
| Ingredient_formula: C29H48O | Ingredient_Smile: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Ingredient_weight: 412.7 g/mol | OB_score: NA |
| PubChem_id: 5280794 | EC: 1.3.1.70 [VIEW IN KEGG] 1.3.1.72 [VIEW IN KEGG] 1.14.18.9 [VIEW IN KEGG] 1.14.19.41 [VIEW IN KEGG] 1.3.1.21 [VIEW IN KEGG] 1.14.18.11 [VIEW IN KEGG] 2.1.1.143 [VIEW IN KEGG] 5.3.3.5 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.14.19.20 [VIEW IN KEGG] |
| Ingredient_name: Stigmasterol-beta-D-glucoside | Alias: stigmasterol-beta-d-glucoside; stigmasterol-β-d-glucoside |
| Ingredient_formula: NA | Ingredient_Smile: CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
| Ingredient_weight: 484.7 | OB_score: 4.079801187 |
| PubChem_id: NA | EC: - |
| Ingredient_name: trans-2-hexenal | Alias: TRANS-2-Hexenal |
| Ingredient_formula: C6H10O | Ingredient_Smile: CCCC=CC=O |
| Ingredient_weight: 98.14 g/mol | OB_score: NA |
| PubChem_id: 5281168 | EC: 1.1.1.163 [VIEW IN KEGG] 1.1.1.245 [VIEW IN KEGG] 1.3.99.14 [VIEW IN KEGG] 1.4.3.12 [VIEW IN KEGG] 1.14.13.22 [VIEW IN KEGG] 4.1.3.35 [VIEW IN KEGG] 1.1.1.1 [VIEW IN KEGG] |
| Ingredient_name: trans-9,trans-12-linoleicacid | Alias: NA |
| Ingredient_formula: C18H32O2 | Ingredient_Smile: CCCCCC=CCC=CCCCCCCCC(=O)O |
| Ingredient_weight: 280.4 g/mol | OB_score: NA |
| PubChem_id: 5282457 | EC: 1.13.11.12 [VIEW IN KEGG] 1.13.11.33 [VIEW IN KEGG] 1.13.11.45 [VIEW IN KEGG] 1.13.11.58 [VIEW IN KEGG] 1.13.11.60 [VIEW IN KEGG] 1.13.11.62 [VIEW IN KEGG] 1.13.11.77 [VIEW IN KEGG] 1.14.14.1 [VIEW IN KEGG] 1.14.19.3 [VIEW IN KEGG] 1.14.19.39 [VIEW IN KEGG] 3.1.1.4 [VIEW IN KEGG] 3.1.2.2 [VIEW IN KEGG] 5.2.1.5 [VIEW IN KEGG] |
| Ingredient_name: Tritetracontane | Alias: tritetracontane |
| Ingredient_formula: C43H88 | Ingredient_Smile: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Ingredient_weight: 605.2 g/mol | OB_score: 7.828327749 |
| PubChem_id: 522398 | EC: - |
| Ingredient_name: vitamin e(beta) | Alias: NA |
| Ingredient_formula: C28H48O2 | Ingredient_Smile: CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.1.1.95 [VIEW IN KEGG] 5.5.1.24 [VIEW IN KEGG] 1.14.14.147 [VIEW IN KEGG] 1.14.14.178 [VIEW IN KEGG] 1.14.19.79 [VIEW IN KEGG] 1.3.1.22 [VIEW IN KEGG] 2.1.1.295 [VIEW IN KEGG] |
| Ingredient_name: vitamin eγ | Alias: NA |
| Ingredient_formula: C28H48O2 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.1.1.95 [VIEW IN KEGG] 5.5.1.24 [VIEW IN KEGG] 1.14.14.147 [VIEW IN KEGG] 1.14.14.178 [VIEW IN KEGG] 1.14.19.79 [VIEW IN KEGG] 1.3.1.22 [VIEW IN KEGG] 2.1.1.295 [VIEW IN KEGG] |
| Ingredient_name: vitamin k1 | Alias: NA |
| Ingredient_formula: C31H46O2 | Ingredient_Smile: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C |
| Ingredient_weight: 450.7 g/mol | OB_score: NA |
| PubChem_id: 5284607 | EC: - |
| Ingredient_name: wogonin | Alias: CTK5B8471; AIDS-001403; CCG-208499; ZB015158; 5,7-dihydroxy-8-methoxyflavone; ZINC899093; 5,7-dihydroxy-8-methoxy-2-phenyl-chromone; BG01576594; AN-46964; 632-85-9; V1530; MCULE-9854289767; 5,7-dihydroxy-8-methoxy-2-phenyl-4-chromenone; Vogonin; AIDS001403; NSC717845; SC-25044; 10-29-7; AC1NQYXJ; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin); NCGC00247464-01; IN1943; ZINC111327191; BN0711; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-; s4743; SR-05000002216-2; Norwogonin 8-methyl ether; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; HY-N0400; BDBM50140257; MFCD12828871; ST077088; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; DTXSID70212557; 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one; 632W859; MFCD00017736; CHEBI:10043; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; BRN 0287152; Wogonin; N1283; SCHEMBL139083; LMPK12111330; I14-8669; NCI60_040649; HMS2270G08; FT-0603499; wagonin; 5-18-04-00571 (Beilstein Handbook Reference); Q-100730; MolPort-001-742-489; SMR001397111; POK93PO28W; AC-20338; MLS002473006; SR-05000002216; CS-3959; CHEMBL16171; D00MXS; 4CN-1056; wogonin ; AKOS015917860; UNII-POK93PO28W; TR-021802; NSC-717845; C-17890; LS-68974; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; XLTFNNCXVBYBSX-UHFFFAOYSA-N; C10197; GP7400; 5,7-Dihydroxy-8-methoxyflavone |
| Ingredient_formula: C16H12O5 | Ingredient_Smile: COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
| Ingredient_weight: 284.26 | OB_score: 30.68456706 |
| PubChem_id: 5281703 | EC: 1.3.1.46 [VIEW IN KEGG] 1.14.14.88 [VIEW IN KEGG] 1.14.14.90 [VIEW IN KEGG] 2.1.1.46 [VIEW IN KEGG] 2.4.1.170 [VIEW IN KEGG] 1.14.13.43 [VIEW IN KEGG] 2.1.1.283 [VIEW IN KEGG] 2.1.1.75 [VIEW IN KEGG] 1.14.19.63 [VIEW IN KEGG] 1.3.1.45 [VIEW IN KEGG] 1.14.14.89 [VIEW IN KEGG] 2.1.1.150 [VIEW IN KEGG] |
| Ingredient_name: γ-amino-α-methylene butyricacid | Alias: NA |
| Ingredient_formula: C5H9NO2 | Ingredient_Smile: C=C(CCN)C(=O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.5.1.1 [VIEW IN KEGG] 1.5.1.2 [VIEW IN KEGG] 1.5.1.21 [VIEW IN KEGG] 1.5.1.49 [VIEW IN KEGG] 1.5.5.2 [VIEW IN KEGG] 1.14.11.2 [VIEW IN KEGG] 1.14.11.28 [VIEW IN KEGG] 1.14.11.56 [VIEW IN KEGG] 1.14.11.57 [VIEW IN KEGG] 3.4.11.5 [VIEW IN KEGG] 3.5.1.101 [VIEW IN KEGG] 4.3.1.12 [VIEW IN KEGG] 5.1.1.4 [VIEW IN KEGG] 6.1.1.15 [VIEW IN KEGG] 6.2.1.53 [VIEW IN KEGG] 1.4.1.12 [VIEW IN KEGG] 1.4.3.3 [VIEW IN KEGG] 1.5.99.13 [VIEW IN KEGG] 1.21.4.1 [VIEW IN KEGG] 1.5.3.13 [VIEW IN KEGG] 1.5.3.17 [VIEW IN KEGG] |
| Ingredient_name: γ-methylene glutamicacid | Alias: NA |
| Ingredient_formula: C6H9NO4 | Ingredient_Smile: C=C(CC(C(=O)O)N)C(=O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 3.5.1.67 [VIEW IN KEGG] 6.3.1.7 [VIEW IN KEGG] 3.5.1.36 [VIEW IN KEGG] |