Summary
| Herb Id: TCMCG042 | Herb name: Nicotiana tabacum |
| Function: To move qi and relieve pain, resolve toxin and kill worms. | Indication: Food stagnation, qi bind pain, welling abscess and flat abscess, clove sore, scab and lichen, snake bite, dog bite. |
Ingredient
| Ingredient_name: 2-tridecanone | Alias: 2TD; TRA0066951; Hendecyl methyl ketone; NCGC00255260-01; H645; NSC 14763; CYIFVRUOHKNECG-UHFFFAOYSA-N; Methyl undecyl ketone; KSC270G4R; 2-TRIDECANONE; CHEMBL480097; 2-Tridecanone, analytical standard; FEMA No. 3388; AN-21550; W-105331; 2-Tridecanone, >=96%, FG; KB-26232; 2-Tridecanone, 99%; UNII-5Q35VHX26K; MolPort-003-927-112; DB-003333; DSSTox_RID_76479; 2-Tridecankje; ANW-33220; LS-1417; C-28181; Tridecanone-2; CAS-593-08-8; TR-020580; DSSTox_CID_2070; NSC-14763; RTR-020580; AI3-04238; SCHEMBL119126; EINECS 209-784-0; ACMC-1AQBG; Tridecan-2-one; DTXSID4022070; EBD2211689; MFCD00008968; FT-0613458; ST51055389; A832256; 593-08-8; Mathyl undecyl kepoje; DSSTox_GSID_22070; ZINC1653218; ST24026018; AB1006140; AK-95269; CTK1H0348; Tox21_301838; Methyl n-undecyl ketone; CC-12003; 2-Tridecanone, purum, >=97.0% (GC); 2-Tridecanone (natural); NSC14763; AKOS009158653; AX8237196; TRIDECANONE; FEMA 3388; AC1L1XR9; LMFA12000058; 2-Tridecanone, >=98%, natural, FG; I14-6312; CHEBI:77928; 5Q35VHX26K |
| Ingredient_formula: C13H26O | Ingredient_Smile: CCCCCCCCCCCC(=O)C |
| Ingredient_weight: 198.34 g/mol | OB_score: NA |
| PubChem_id: 11622 | EC: - |
| Ingredient_name: 3-methoxy-4-hydroxy-propyl alcohol | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 4',7-dihydroxy-8-forrayl-6-methoxyflavon | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 4-O-caffeoyl quinic acid | Alias: 4-o-caffeoylquinic acid; 4-o-caffeoylquinic acid ; 4-o-caffeoylquinicacid |
| Ingredient_formula: C16H18O9 | Ingredient_Smile: C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O |
| Ingredient_weight: 354.31 g/mol | OB_score: NA |
| PubChem_id: 58427569 | EC: 1.14.14.96 [VIEW IN KEGG] 2.3.1.98 [VIEW IN KEGG] 2.3.1.99 [VIEW IN KEGG] 2.3.1.133 [VIEW IN KEGG] 3.1.1.42 [VIEW IN KEGG] 2.4.1.128 [VIEW IN KEGG] |
| Ingredient_name: 5,7,4'- Trihydroxyflavanone | Alias: NA |
| Ingredient_formula: C15H12O5 | Ingredient_Smile: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
| Ingredient_weight: 272.25 g/mol | OB_score: NA |
| PubChem_id: 439246 | EC: 1.1.1.234 [VIEW IN KEGG] 1.14.11.9 [VIEW IN KEGG] 1.14.14.81 [VIEW IN KEGG] 1.14.14.82 [VIEW IN KEGG] 1.14.14.87 [VIEW IN KEGG] 1.14.19.76 [VIEW IN KEGG] 1.14.20.5 [VIEW IN KEGG] 2.1.1.231 [VIEW IN KEGG] 2.1.1.232 [VIEW IN KEGG] 2.4.1.185 [VIEW IN KEGG] 2.5.1.70 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 5.5.1.6 [VIEW IN KEGG] 1.14.14.93 [VIEW IN KEGG] 2.5.1.36 [VIEW IN KEGG] 1.14.14.162 [VIEW IN KEGG] 2.1.1.65 [VIEW IN KEGG] 1.3.1.51 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] 2.3.1.74 [VIEW IN KEGG] 2.4.1.286 [VIEW IN KEGG] 1.1.1.219 [VIEW IN KEGG] 1.14.20.6 [VIEW IN KEGG] 2.1.1.212 [VIEW IN KEGG] 4.2.1.105 [VIEW IN KEGG] |
| Ingredient_name: 5-o-caffeoylquinic acid | Alias: (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1 |
| Ingredient_formula: C16H18O9 | Ingredient_Smile: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| Ingredient_weight: 354.31 | OB_score: 19.61281808 |
| PubChem_id: 5280633 | EC: 1.14.14.96 [VIEW IN KEGG] 2.3.1.98 [VIEW IN KEGG] 2.3.1.99 [VIEW IN KEGG] 2.3.1.133 [VIEW IN KEGG] 3.1.1.42 [VIEW IN KEGG] 2.4.1.128 [VIEW IN KEGG] |
| Ingredient_name: 6,7-dimethoxy-4'-hydroxy-8-formylflavon | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 7-dehydroporiferasterol | Alias: 7-dehydro-poriferasterol |
| Ingredient_formula: C29H46O | Ingredient_Smile: CCC(C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Ingredient_weight: 410.7 g/mol | OB_score: NA |
| PubChem_id: 20843308 | EC: 1.3.1.70 [VIEW IN KEGG] 1.14.14.154 [VIEW IN KEGG] 1.14.15.36 [VIEW IN KEGG] 1.3.1.21 [VIEW IN KEGG] 1.14.19.20 [VIEW IN KEGG] 1.1.1.270 [VIEW IN KEGG] 1.1.1.418 [VIEW IN KEGG] |
| Ingredient_name: 8-formyl-4',6,7-trimethoxyflavon | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: acetosyringone | Alias: NA |
| Ingredient_formula: C10H12O4 | Ingredient_Smile: CC(=O)C1=CC(=C(C(=C1)OC)O)OC |
| Ingredient_weight: 196.2 g/mol | OB_score: NA |
| PubChem_id: 17198 | EC: 1.3.1.58 [VIEW IN KEGG] 2.3.1.156 [VIEW IN KEGG] 1.1.1.195 [VIEW IN KEGG] 1.11.1.7 [VIEW IN KEGG] 1.11.1.21 [VIEW IN KEGG] 2.1.1.68 [VIEW IN KEGG] |
| Ingredient_name: anabasine | Alias: NA |
| Ingredient_formula: C10H14N2 | Ingredient_Smile: C1CCNC(C1)C2=CN=CC=C2 |
| Ingredient_weight: 162.23 g/mol | OB_score: NA |
| PubChem_id: 205586 | EC: - |
| Ingredient_name: (+-)-anabasine | Alias: NA |
| Ingredient_formula: C10H14N2 | Ingredient_Smile: C1CCNC(C1)C2=CN=CC=C2 |
| Ingredient_weight: 162.23 g/mol | OB_score: NA |
| PubChem_id: 641266 | EC: - |
| Ingredient_name: (卤)-anabasine | Alias: NA |
| Ingredient_formula: C10H14N2 | Ingredient_Smile: C1CCNC(C1)C2=CN=CC=C2 |
| Ingredient_weight: 162.23 | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: anatabine | Alias: NA |
| Ingredient_formula: C10H12N2 | Ingredient_Smile: C1C=CCNC1C2=CN=CC=C2 |
| Ingredient_weight: 160.22 g/mol | OB_score: NA |
| PubChem_id: 11388 | EC: 1.4.3.4 [VIEW IN KEGG] 1.4.3.22 [VIEW IN KEGG] 1.14.99.59 [VIEW IN KEGG] 2.1.1.49 [VIEW IN KEGG] 4.1.1.28 [VIEW IN KEGG] 4.1.1.105 [VIEW IN KEGG] 4.3.3.2 [VIEW IN KEGG] |
| Ingredient_name: β-3,8,13-duvatriene-1,5-diol | Alias: NA |
| Ingredient_formula: C20H34O2 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 3.1.2.2 [VIEW IN KEGG] 1.14.14.146 [VIEW IN KEGG] 1.14.99.61 [VIEW IN KEGG] 1.14.99.62 [VIEW IN KEGG] |
| Ingredient_name: beta-4,8,13-duvatriene-1,3-diol | Alias: β-4,8,13-duvatriene-1,3-diol |
| Ingredient_formula: C20H34O2 | Ingredient_Smile: CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C |
| Ingredient_weight: 306.5 g/mol | OB_score: NA |
| PubChem_id: 6440192 | EC: 3.1.2.2 [VIEW IN KEGG] 1.14.14.146 [VIEW IN KEGG] 1.14.99.61 [VIEW IN KEGG] 1.14.99.62 [VIEW IN KEGG] |
| Ingredient_name: caffeic acid | Alias: Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197 |
| Ingredient_formula: C9H8O4 | Ingredient_Smile: C1=CC(=C(C=C1C=CC(=O)O)O)O |
| Ingredient_weight: 180.16 | OB_score: 25.76439804 |
| PubChem_id: 689043 | EC: 1.1.1.110 [VIEW IN KEGG] 1.1.1.237 [VIEW IN KEGG] 1.2.3.13 [VIEW IN KEGG] 1.3.1.12 [VIEW IN KEGG] 1.3.1.13 [VIEW IN KEGG] 1.4.1.20 [VIEW IN KEGG] 1.4.3.2 [VIEW IN KEGG] 1.13.11.27 [VIEW IN KEGG] 1.13.11.46 [VIEW IN KEGG] 2.5.1.111 [VIEW IN KEGG] 2.6.1.1 [VIEW IN KEGG] 2.6.1.5 [VIEW IN KEGG] 2.6.1.9 [VIEW IN KEGG] 2.6.1.57 [VIEW IN KEGG] 2.6.1.58 [VIEW IN KEGG] 2.6.1.103 [VIEW IN KEGG] 4.1.1.80 [VIEW IN KEGG] 5.3.2.1 [VIEW IN KEGG] 1.13.11.22 [VIEW IN KEGG] 1.14.18.1 [VIEW IN KEGG] 2.1.1.68 [VIEW IN KEGG] 2.8.3.23 [VIEW IN KEGG] 3.1.1.42 [VIEW IN KEGG] 4.1.1.102 [VIEW IN KEGG] 6.2.1.12 [VIEW IN KEGG] 3.1.1.55 [VIEW IN KEGG] 1.3.1.87 [VIEW IN KEGG] 1.13.11.16 [VIEW IN KEGG] 1.14.13.127 [VIEW IN KEGG] |
| Ingredient_name: Capsidiol | Alias: 1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol; (1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol; (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol; 37208-05-2; capsidiol; (1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol; 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (1R-(1alpha,3beta,4beta,4aalpha,6alpha))-; 6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol; CTK8I4637; C09627; (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol; NSC635814; Ca.psi.diol; 4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol; AC1LATYG; CHEBI:28283; 6-Isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphthalenediol |
| Ingredient_formula: C15H24O2 | Ingredient_Smile: CC1C(CC(C2=CCC(CC12C)C(=C)C)O)O |
| Ingredient_weight: 236.35 | OB_score: 23.35930945 |
| PubChem_id: 494902 | EC: 1.14.99.21 [VIEW IN KEGG] 1.14.14.149 [VIEW IN KEGG] 1.2.1.3 [VIEW IN KEGG] 1.14.14.128 [VIEW IN KEGG] 2.1.1.325 [VIEW IN KEGG] 1.13.11.85 [VIEW IN KEGG] |
| Ingredient_name: capsorubin | Alias: AC1O4BDE; (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione; SCHEMBL15286468 |
| Ingredient_formula: C40H56O4 | Ingredient_Smile: CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C |
| Ingredient_weight: 600.9 g/mol | OB_score: NA |
| PubChem_id: 5281229 | EC: 1.14.15.21 [VIEW IN KEGG] 1.23.5.1 [VIEW IN KEGG] 5.3.99.8 [VIEW IN KEGG] 5.3.99.9 [VIEW IN KEGG] 1.13.11.51 [VIEW IN KEGG] |
| Ingredient_name: chlorogenic acid | Alias: 3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid |
| Ingredient_formula: C16H18O9 | Ingredient_Smile: CC=CC1=CC(=C(C=C1)O)O.CC1CC(CC(C1O)O)(C(=O)O)O |
| Ingredient_weight: 354.31 | OB_score: NA |
| PubChem_id: 53399195 | EC: 1.14.14.96 [VIEW IN KEGG] 2.3.1.98 [VIEW IN KEGG] 2.3.1.99 [VIEW IN KEGG] 2.3.1.133 [VIEW IN KEGG] 3.1.1.42 [VIEW IN KEGG] 2.4.1.128 [VIEW IN KEGG] |
| Ingredient_name: Chlorogenic acid methyl ester | Alias: chlorogenic acid methyl ester; AIDS110020; AIDS-110020; Cyclohexanecarboxylic acid, 3-(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl-Oxy-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)-; chlorogenic acid methylester |
| Ingredient_formula: C17H20O9 | Ingredient_Smile: COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O |
| Ingredient_weight: 368.3 g/mol | OB_score: 9.967379638 |
| PubChem_id: 6476139 | EC: 2.3.1.99 [VIEW IN KEGG] |
| Ingredient_name: cycloartenol | Alias: CF58DF82-6B90-40E1-B241-3FA99C98DA64; Cycloartenol; 9,19-Cyclolanost-24-en-3-ol, (3beta)-; C01902; 9beta,19-Cyclo-24-lanosten-3beta-ol; SCHEMBL561141; Cycloarterenol; 469-38-5; NSC 670193 |
| Ingredient_formula: C30H50O | Ingredient_Smile: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| Ingredient_weight: 426.7 g/mol | OB_score: NA |
| PubChem_id: 92110 | EC: - |
| Ingredient_name: cycloartenone | Alias: Cycloartenone; CYCLOARTENONE; CHEMBL226084; 511-63-7 |
| Ingredient_formula: C30H48O | Ingredient_Smile: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C |
| Ingredient_weight: 424.7 | OB_score: 40.57046636 |
| PubChem_id: 12305362 | EC: - |
| Ingredient_name: debneyol | Alias: AC1NSU90; 2-[(2R,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol |
| Ingredient_formula: C15H26O2 | Ingredient_Smile: CC1CCCC2=CCC(CC12C)C(C)(CO)O |
| Ingredient_weight: 238.37 g/mol | OB_score: NA |
| PubChem_id: 442364 | EC: 1.14.14.72 [VIEW IN KEGG] |
| Ingredient_name: dehydrosafynol | Alias: Dehydrosafynol; 1540-85-8; C08447; DTXSID00415074; (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol; (2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol; AC1NQY3W; CHEBI:4370; LMFA05000649 |
| Ingredient_formula: C13H10O2 | Ingredient_Smile: CC=CC#CC#CC#CC#CC(CO)O |
| Ingredient_weight: 198.22 g/mol | OB_score: NA |
| PubChem_id: 5281147 | EC: - |
| Ingredient_name: Diosmetin-7-rutinoside | Alias: NA |
| Ingredient_formula: C28H32O15 | Ingredient_Smile: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| Ingredient_weight: 608.5 g/mol | OB_score: NA |
| PubChem_id: 5353588 | EC: - |
| Ingredient_name: dysobinin | Alias: NA |
| Ingredient_formula: C30H38O6 | Ingredient_Smile: CC(=O)OC1C2C(C(=O)C=CC2(C3CCC4(C(CC=C4C3(C1OC(=O)C)C)C5=COC=C5)C)C)(C)C |
| Ingredient_weight: 494.6 g/mol | OB_score: NA |
| PubChem_id: 101316752 | EC: - |
| Ingredient_name: (E ,E )-2,4-decadienal | Alias: (E,E)-2,4-decadienal; (e, e)-2,4-decadienal; (e,e)-2,4-decadienal |
| Ingredient_formula: C10H16O | Ingredient_Smile: CCCCCC=CC=CC=O |
| Ingredient_weight: 152.23 g/mol | OB_score: NA |
| PubChem_id: 5283349 | 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: (E)-ferulaldehyde | Alias: NA |
| Ingredient_formula: C10H10O3 | Ingredient_Smile: COC1=C(C=CC(=C1)C=CC=O)O |
| Ingredient_weight: 178.18 g/mol | OB_score: NA |
| PubChem_id: 5280536 | EC: 1.1.1.252 [VIEW IN KEGG] 1.1.1.194 [VIEW IN KEGG] 1.1.1.195 [VIEW IN KEGG] 1.2.1.44 [VIEW IN KEGG] 1.2.1.68 [VIEW IN KEGG] 2.1.1.68 [VIEW IN KEGG] 2.1.1.281 [VIEW IN KEGG] 2.6.1.57 [VIEW IN KEGG] 2.6.1.107 [VIEW IN KEGG] |
| Ingredient_name: (-)epicatechin | Alias: EINECS 207-710-1; KBio2_003207; SpecPlus_000267; (+/-)-Epicatechin; SMP1_000115; AIDS-001347; NSC81161; STOCK1N-16439; (-)-epicatechin; KBioGR_001538; NSC 81161; .alpha. Catechin; BCBcMAP01_000224; KBio1_001307; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-; CCRIS 7097; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)- (9CI); C09727; (- )-epicatechin; KBio2_005775; Spectrum3_000243; KBioSS_000639; NCGC00015215-01; (-)-Epicatechin; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; 17334-50-8; ZINC00119988; (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; SCHEMBL13350313; (-)- epicatechin; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; (.+-.)-Epicatechol; E4018_SIGMA; CHEBI:28466; NSC81162; Spectrum4_000949; 525952_ALDRICH; NSC-81162; DivK1c_006363; 2545-08-6; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; (−)-Epicatechin; AC1L5SMJ; Lopac-C-1251; NCGC00016415-02; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; Spectrum5_000929; l-Acacatechin; AIDS001347; E1753_SIGMA; 39263_FLUKA; (-)epicatechin ; Epicatechin; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; Spectrum2_000675; 490-46-0; KBio3_001126; KBio2_000639; Prestwick_203; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane; NCGC00016415-01; (-)-epicatechin ; Epicatechin-(-); SDCCGMLS-0066927.P001; CAS-7295-85-4; (- )- epicatechin; 2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene; SPBio_000769; L-Epicatechin; epi-Catechol; Oprea1_209947; NSC-81161; (-) epicatechin; SPECTRUM210206; BSPBio_001626; (2R,3R)-(-)-Epicatechin; Spectrum_000159; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; epi-Catechin; CAS-154-23-4; ACon1_001106; Epicatechol, (-)- |
| Ingredient_formula: C15H14O6 | Ingredient_Smile: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| Ingredient_weight: 290.27 g/mol | OB_score: 28.9347677 |
| PubChem_id: 72276 | EC: 1.1.1.219 [VIEW IN KEGG] 1.14.20.4 [VIEW IN KEGG] 1.17.1.3 [VIEW IN KEGG] 1.1.1.234 [VIEW IN KEGG] 1.3.1.77 [VIEW IN KEGG] 3.7.1.4 [VIEW IN KEGG] |
| Ingredient_name: ferulic acid | Alias: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
| Ingredient_formula: C10H10O4 | Ingredient_Smile: COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
| Ingredient_weight: 194.18 | OB_score: NA |
| PubChem_id: 54691413 | EC: 1.1.1.252 [VIEW IN KEGG] 4.2.1.94 [VIEW IN KEGG] 1.2.1.68 [VIEW IN KEGG] 2.1.1.68 [VIEW IN KEGG] 2.4.1.120 [VIEW IN KEGG] 2.4.1.126 [VIEW IN KEGG] 3.1.1.73 [VIEW IN KEGG] 3.5.1.71 [VIEW IN KEGG] 4.1.1.102 [VIEW IN KEGG] 6.2.1.12 [VIEW IN KEGG] 6.2.1.34 [VIEW IN KEGG] 2.1.1.108 [VIEW IN KEGG] 1.1.1.195 [VIEW IN KEGG] 1.2.1.44 [VIEW IN KEGG] 2.8.3.28 [VIEW IN KEGG] |
| Ingredient_name: isovalericacid | Alias: isovaleric acid |
| Ingredient_formula: C5H10O2 | Ingredient_Smile: CC(C)CC(=O)O |
| Ingredient_weight: 102.13 g/mol | OB_score: NA |
| PubChem_id: 10430 | EC: 3.5.1.50 [VIEW IN KEGG] 1.14.15.23 [VIEW IN KEGG] |
| Ingredient_name: Isovaleroxy-hydroxy dihydrovaltrate | Alias: isovaleroxy-hydroxy dihydrovaltrate; [1-acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate; AC1NSX6L |
| Ingredient_formula: C27H40O11 | Ingredient_Smile: CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O |
| Ingredient_weight: 540.67 | OB_score: 25.50586167 |
| PubChem_id: NA | EC: - |
| Ingredient_name: kaempferol | Alias: TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- |
| Ingredient_formula: C15H10O6 | Ingredient_Smile: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Ingredient_weight: 286.24 | OB_score: 41.88224954 |
| PubChem_id: 5280863 | 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: Kaempferol-3-0-β-D-galactopranoside | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Kaempferol-3-0-β-D-glycosides | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Kaempferol-3-0-β-D-rutinsides | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: morachalcone A | Alias: morachalcone a |
| Ingredient_formula: C20H20O5 | Ingredient_Smile: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C |
| Ingredient_weight: 340.37 | OB_score: NA |
| PubChem_id: 9862769 | EC: 1.14.14.135 [VIEW IN KEGG] 2.5.1.36 [VIEW IN KEGG] 2.1.1.338 [VIEW IN KEGG] 1.14.14.142 [VIEW IN KEGG] 2.5.1.70 [VIEW IN KEGG] |
| Ingredient_name: neophytadiene | Alias: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene; Neophytadiene; Neophytadiene 1-Hexadecene,7,11,15-trimethyl-3-methylene |
| Ingredient_formula: C20H38 | Ingredient_Smile: CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C |
| Ingredient_weight: 278.52 | OB_score: 3.920983367 |
| PubChem_id: 10446 | EC: - |
| Ingredient_name: (?)-nicotine | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: CN1CCCC1C2=CN=CC=C2 |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: nicotinic acid | Alias: Nicangin; 3-Picolinic acid; DTXSID30349353; Nicodon; NSC 169454; nico-tinicacid; HSDB 3134; CHEBI:15940; D00049; Direktan; Acidum nicotinicum; 123574-58-3; Bionic; Niacin (USP); BPBio1_000730; Acide nicotinique [INN-French]; IDI1_000695; WLN: T6NJ CVQ; S115; Niacor; Niac; Davitamon PP; CAS-59-67-6; Pyridine-3-carbonic acid; C-55000; Prestwick2_000881; C00253; Akotin; KBio3_001569; Acidum nicotinicum [INN-Latin]; KBio2_004111; Spectrum2_000006; Peviton; Vitamin- B3; PP Factor; AE-641/00368010; NINDS_000695; Nicotinic acid (JP15/INN); Nico-400; KBioSS_001543; 3-Carboxylpyridine; Diacin; MLS000069603; Nicotinipca; Pellagramin; Nicotamin; Efacin; Prestwick3_000881; Tega-Span; 72309_FLUKA; KBio1_000695; 72312_FLUKA; NCGC00094734-01; 3-pyridinecarboxylic acid; nicotinic acid, [carboxy-14C]-; 59-67-6; Nicotinsaure [German]; Oprea1_514398; EPA Pesticide Chemical Code 056701; Niaspan (TN); Nicagin; BSPBio_000662; Niconat; Nicotine acid; Nyclin; CCRIS 1902; SDCCGMLS-0066610.P001; 47864_SUPELCO; Kyselina nikotinova [Czech]; Pyridine-.beta.-carboxylic acid; Prestwick1_000881; DivK1c_000695; NCGC00016268-01; Nicotinic acid,[carboxyl-14C]; NIO; Pelonin; ACM2906425; Nicosan 3; EINECS 200-441-0; Enduracin; AIDS-008918; BSPBio_002069; SBB004279; BRN 0109591; Spectrum3_000515; Pellagra preventive factor; Nicotinsaure; Niacor (TN); Niconacid; Pellagrin; N0761_SIGMA; N4126_SIAL; Nikotinsaeure; SPECTRUM1500430; wampocap; N5410_SIAL; InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9; AI3-18994; Nicotene; KBio2_001543; Prestwick0_000881; Tinic; NSC169454; Daskil; Pyridine-carboxylique-3 [French]; Nicosyl; Niacin [USAN]; SR 4390; NICO; Nicovasen; niacin; SPBio_000011; AIDS008918; NCI60_001041; m-pyridinecarboxylic acid; Slo-niacin; Nicyl; Linic; Pyridine-beta-carboxylic acid; Nipellen; Nicotil; Caswell No. 598; Acido nicotinico [INN-Spanish]; Nicocidin; LS-2334; nicotinicacid; Pyridine-3-carboxylic acid; pellagra; P.P. factor-pellagra preventive factor; P.P. factor; Niconazid; Spectrum_001063; Nicodelmine; Nicovasan; preventative factor; Apelagrin; 3-Pyridinecarboxylic-14C acid (9CI); Nicacid; 3PyrCOOH; Nicotinic acid-carboxy-14C; antipellagra vitamin; KBioGR_001309; Spectrum5_001287; SPBio_002881; Nico-span; NCGC00094734-02; 72311_FLUKA; 3-Carboxypyridine; SK-Niacin; N0765_SIGMA; Spectrum4_000965; 2906-42-5; Nicocrisina; beta-pyridinecarboxylic acid; anti-Pellagra vitamin; KBio2_006679; 5-22-02-00057 (Beilstein Handbook Reference); Vitaplex N; SMR000059024; Pyridinecarboxylic acid, 3-; FT-0773496; N2267_SIGMA; Niaspan; AC1LD8VU |
| Ingredient_formula: C6H5NO2 | Ingredient_Smile: C1=CC(=CN=C1)C(=O)O |
| Ingredient_weight: 123.11 | OB_score: 47.64529278 |
| PubChem_id: 938 | EC: 1.17.1.5 [VIEW IN KEGG] 1.17.2.1 [VIEW IN KEGG] 2.1.1.7 [VIEW IN KEGG] 2.4.1.196 [VIEW IN KEGG] 2.4.2.1 [VIEW IN KEGG] 2.4.2.21 [VIEW IN KEGG] 2.4.2.55 [VIEW IN KEGG] 2.4.99.20 [VIEW IN KEGG] 3.2.2.3 [VIEW IN KEGG] 3.5.1.19 [VIEW IN KEGG] 6.3.4.21 [VIEW IN KEGG] 1.7.1.16 [VIEW IN KEGG] 1.14.12.23 [VIEW IN KEGG] 3.1.1.1 [VIEW IN KEGG] 2.1.1.349 [VIEW IN KEGG] |
| Ingredient_name: nicotinine | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Nicotpanoid A | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Nicotpanoid B | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: pentanicacid | Alias: pentanic acid |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: (卤)-Pinocembrin | Alias: NA |
| Ingredient_formula: C15H12O4 | Ingredient_Smile: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.14.14.93 [VIEW IN KEGG] 2.1.1.154 [VIEW IN KEGG] 2.3.1.170 [VIEW IN KEGG] 5.5.1.6 [VIEW IN KEGG] 1.14.11.9 [VIEW IN KEGG] 1.14.14.82 [VIEW IN KEGG] 1.14.14.87 [VIEW IN KEGG] 1.14.14.162 [VIEW IN KEGG] 1.14.19.76 [VIEW IN KEGG] 1.14.20.5 [VIEW IN KEGG] 1.14.14.81 [VIEW IN KEGG] 2.3.1.74 [VIEW IN KEGG] |
| Ingredient_name: quercetin | Alias: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; c0808; NCGC00025016-03; EINECS 204-187-1; Maybridge1_008992; quercetin-7-olate; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; C00389; 73123-10-1; NCGC00015870-01; 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate; 3,5-Dihydroxy-2-(3,4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-7-ol anion; KBio2_003152; MEGxp0_000381; NCGC00015870-02; KBio1_000485; 3,5,7,3',4'-Pentahydroxyflavone; A1784/0075599; NCGC00025016-08; NCGC00015870-03; K00029; CI 75670; NChemBio.2007.10-comp11; AI3-26018; KBio3_000776; Spectrum5_001389; Natural Yellow 10; CPD-520; TNP00089; AIDS-000487; 6151-25-3 (DIHYDRATE); BiomolKI_000062; Spectrum_000124; C.I. natural red 1; CHEBI:57694; Cyanidelonon 1522; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; 117-39-5 (NEUTRAL ); 3,5,7,3',4'-pentahydroflavone; 3,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-5-ol anion; quercetin ; MixCom3_000183; KBioGR_001293; DivK1c_000485; Lopac-Q-0125; 3,3',4',5-7-pentahydroxyflavone; Quercetin content; KBio3_000775; 117-39-5; 3,5,7,3',4'-pentahydroxyflavone; C.I. 75670; Quertin; 3,3',4',5,6-pentahydroxyflavone; Flavin meletin; NSC 9219; NSC57655 (ALUMINUM SALT); IDI1_002129; SGCUT00001; EU-0100999; KBio2_005720; NINDS_000485; KBioSS_000584; 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one; NCI-C60106; BRN 0317313; BPBio1_000477; Bio1_000858; 3,3',4',5,7-Pentahydroxyflavone; NSC9219; Prestwick1_000507; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone; LNS-5662; NSC58588 (ZIRCONIUM SALT); 3',4',5,7-Tetrahydroxyflavan-3-ol; ZINC03861279; KBioSS_000408; NCIOpen2_007882; Quercetin; 3,3',4',5,7-Pentahydroxyflavone; Sophoretin; UPCMLD-DP081:001; SPBio_000217; 5,7-Dihydroxy-2-(3,4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-3-ol anion; HSDB 3529; NCGC00025016-05; 5-(3,5,7-Trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenol anion; Quercetine; BAS 00649429; CCRIS 1639; Spectrum2_000059; Bio1_000369; 7255-55-2 (ZIRCONIUM SALT); Spectrum4_000807; SPECTRUM1500672; Kvercetin [Czech]; IDI1_000485; SPBio_002354; Bio2_000374; ACon1_000560; BSPBio_001068; NCGC00025016-07; quercetin anion; Bio2_000854; CHEBI:16243; Quercitin; 2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-olate; 3,3',4,5,7-Pentahydroxyflavone; BiomolKI2_000068; KBio2_002976; Meletin; Prestwick3_000507; TNP00070; Lopac0_000999; KBio2_005544; Prestwick2_000507; C.I. natural yellow 10 & 13; C.I. Natural Yellow 10; A803764; 4-(3,5,7-Trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenol anion; t-Gelb bzw. grun 1; BSPBio_000433; to_000078; Quercetol; Bio1_001347; Quertine; KBio3_001463; WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ; Flavone, 3,4',5,5',7-pentahydroxy-; Spectrum3_000642; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; 3',4',5,7-tetrahydroxyflavon-3-ol; CI Natural Yellow 10; KBio2_000408; Tocris-1125; Xanthaurine; KBioGR_000408; QUE; BSPBio_002243; NSC9219 (NEUTRAL); 5-18-05-00494 (Beilstein Handbook Reference); KBio2_000584; AIDS000487; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromenone; Flavone, 3,3',4',5,7-pentahydroxy-; NCI60_042036; NSC 9221; SMP1_000252; Prestwick0_000507; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-olate; NCGC00025016-01; NCIOpen2_007628; 74893-81-5; 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on; S00057 |
| Ingredient_formula: C15H10O7 | Ingredient_Smile: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
| Ingredient_weight: 302.24 | OB_score: 46.43334812 |
| PubChem_id: 5280343 | EC: 1.13.11.24 [VIEW IN KEGG] 1.14.14.81 [VIEW IN KEGG] 1.14.14.82 [VIEW IN KEGG] 1.14.20.6 [VIEW IN KEGG] 2.1.1.76 [VIEW IN KEGG] 2.4.1.91 [VIEW IN KEGG] 2.4.1.237 [VIEW IN KEGG] 2.8.2.25 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] 1.14.20.5 [VIEW IN KEGG] 2.1.1.169 [VIEW IN KEGG] 2.1.1.175 [VIEW IN KEGG] |
| Ingredient_name: Quercetin-3-0-β-D-glycosides | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Quercetin-3-O-β-D-galactopranoside | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Rishitin | Alias: 2,3-naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1S,2R,3R,7R)-; InChI=1/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s; 1,2,3,5,6,7,8,8a-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol; 7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-naphthalene-2,3-diol; 2,3-Naphthalenediol, 1,2,3,5,6,7,8,8a-octahydro-1-methyl-7-(1-methylethenyl)-; (1S,2R,3R,7R)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol; rel-(1R,2S,3S,7S)-7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol; C09715; 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol; 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-methyl-7-(1-methylethenyl)-, (1alpha,2beta,3alpha,7beta)-(-)-; rishitin; (1S,2R,3R,7R)-1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol; (1alpha,2beta,3alpha,7beta)-(-)-1,2,3,4,5,6,7,8-Octahydro-1-methyl-7-(1-methylethenyl)-2,3-naphthalenediol; AC1NX4KW; 18178-54-6; 59545-99-2; 1-METHYL-7-(PROP-1-EN-2-YL)-1,2,3,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2,3-DIOL |
| Ingredient_formula: C14H22O2 | Ingredient_Smile: CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O |
| Ingredient_weight: 222.32 | OB_score: 18.50376056 |
| PubChem_id: 108064 | EC: - |
| Ingredient_name: rivularine | Alias: NA |
| Ingredient_formula: C13H19NO3 | Ingredient_Smile: CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO |
| Ingredient_weight: 237.29 g/mol | OB_score: NA |
| PubChem_id: 6433221 | EC: - |
| Ingredient_name: rutin | Alias: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone; 56764-99-9; 153-18-4; Rutin [JAN]; 3,3',4',5,5',7-Hexahydroxyflavone (6-O-alpha-L-rhamnosyl-beta-D-glucoside); Glucopyranoside, quercetin-3 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-; 164535-43-7; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; NINDS_000644; USAF CF-5; 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]-oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one; RUT; Rutoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; quercetin-3-O-(6-O-alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; Rutosido [INN-Spanish]; 115888-40-9; A809400; 2-[2,3-bis(oxidanyl)phenyl]-3-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one; Bioflavonoid; MLS000759398; 146525-66-8; ZINC04096846; BRN 0075455; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE; EINECS 205-814-1; 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; Quercetin-3-rutinoside; 1416-01-9; Glucopyranoside, quercetin-3 6-O-alpha-L-rhamnopyranosyl-, beta-D; Rutinum; Quercetin-3beta-rutinoside; Phytomelin; Rutin; 18449-50-8; Sophorin (VAN); NCGC00160628-01; SMR000112560; IDI1_000644; Rutosidum [INN-Latin]; ACon1_000075; C05625; Rutosidum; Rutosido; Rutinoside, quercetin-3, beta-; AIDS001409; 3'4'5,7-tetOH-Flavone-3-rut; 48197-72-4; 5-18-05-00519 (Beilstein Handbook Reference); AI3-19098; rutoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-mannopyranoside; NSC 9220; Quercetin, 3-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside); 158560-09-9; KBio1_000644; AIDS-001409; CHEBI:28527; Quercetin 3-O-beta-D-rutinoside; 3-Rhamnoglucoside of 3,3',4',5,7-pentahydroxyflavone; MEGxp0_000068; DivK1c_000644; Quercetin rhamnoglucosine; Neoisorutin; Quercetin, 3-(6-0-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside); CCRIS 7564; Rutine |
| Ingredient_formula: C27H30O16 | Ingredient_Smile: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
| Ingredient_weight: 610.52 | OB_score: 3.201533128 |
| PubChem_id: 5280805 | EC: 2.4.1.159 [VIEW IN KEGG] 2.4.2.35 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] 2.4.1.239 [VIEW IN KEGG] 2.4.1.240 [VIEW IN KEGG] |
| Ingredient_name: saccharopine | Alias: NA |
| Ingredient_formula: C11H20N2O6 | Ingredient_Smile: C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N |
| Ingredient_weight: 276.29 g/mol | OB_score: NA |
| PubChem_id: 160556 | EC: 1.5.1.7 [VIEW IN KEGG] 1.5.1.8 [VIEW IN KEGG] 1.5.1.9 [VIEW IN KEGG] 1.5.1.10 [VIEW IN KEGG] 1.5.3.18 [VIEW IN KEGG] |
| Ingredient_name: sclareol | Alias: NA |
| Ingredient_formula: C20H36O2 | Ingredient_Smile: CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
| Ingredient_weight: 308.5 | OB_score: 43.67068458 |
| PubChem_id: 56842011 | EC: 4.2.3.141 [VIEW IN KEGG] |
| Ingredient_name: scopolin | Alias: scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE |
| Ingredient_formula: C16H18O9 | Ingredient_Smile: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| Ingredient_weight: 354.31 g/mol | OB_score: NA |
| PubChem_id: 439514 | EC: 1.14.14.96 [VIEW IN KEGG] 2.3.1.98 [VIEW IN KEGG] 2.3.1.99 [VIEW IN KEGG] 2.3.1.133 [VIEW IN KEGG] 3.1.1.42 [VIEW IN KEGG] 2.4.1.128 [VIEW IN KEGG] |
| Ingredient_name: scoulerine | Alias: CHEMBL1395394; AKOS032949038; CAS-6451-73-6; AC1LMC5I; Scoulerine; ZINC28465423; (+)-Scoulerine; 4CN-3063; (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; BDBM50429050; NCGC00016674-01 |
| Ingredient_formula: C19H21NO4 | Ingredient_Smile: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
| Ingredient_weight: 327.4 g/mol | OB_score: NA |
| PubChem_id: 1152279 | EC: 1.14.19.65 [VIEW IN KEGG] 1.14.19.73 [VIEW IN KEGG] 1.21.3.3 [VIEW IN KEGG] 2.1.1.117 [VIEW IN KEGG] 1.1.1.248 [VIEW IN KEGG] 1.14.19.67 [VIEW IN KEGG] 1.14.19.51 [VIEW IN KEGG] 2.1.1.337 [VIEW IN KEGG] |
| Ingredient_name: solanesol | Alias: NA |
| Ingredient_formula: C45H74O | Ingredient_Smile: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C |
| Ingredient_weight: 631.1 g/mol | OB_score: NA |
| PubChem_id: 5477212 | EC: - |
| Ingredient_name: solanone | Alias: NA |
| Ingredient_formula: C13H22O | Ingredient_Smile: CC(C)C(CCC(=O)C)C=CC(=C)C |
| Ingredient_weight: 194.31 g/mol | OB_score: NA |
| PubChem_id: 6451337 | EC: 1.14.99.21 [VIEW IN KEGG] |
| Ingredient_name: Solavetivone | Alias: (2R,5S,6R)-6,10-dimethyl-2-prop-1-en-2-yl-spiro[4.5]dec-9-en-8-one; solavetivone; C09737; 61167-63-3; (2R,5S,6R)-2-isopropenyl-6,10-dimethyl-spiro[4.5]dec-9-en-8-one; (2R,5S,6R)-2-isopropenyl-6,10-dimethyl-8-spiro[4.5]dec-9-enone; 180682-45-5; (2R,5S,6R)-6,10-dimethyl-2-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one; (2R,5S)-6,10alpha-Dimethyl-2alpha-isopropenylspiro[4.5]deca-6-ene-8-one; (2R,5S,10S)-6,10-DIMETHYL-2-(PROP-1-EN-2-YL)SPIRO[4.5]DEC-6-EN-8-ONE |
| Ingredient_formula: C14H18O | Ingredient_Smile: CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C |
| Ingredient_weight: 202.29 | OB_score: 36.73245879 |
| PubChem_id: 11085279 | EC: 2.4.1.354 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 3.2.1.117 [VIEW IN KEGG] 3.2.1.118 [VIEW IN KEGG] 2.4.1.220 [VIEW IN KEGG] |
| Ingredient_name: somalin | Alias: NA |
| Ingredient_formula: C30H46O7 | Ingredient_Smile: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O |
| Ingredient_weight: 518.7 g/mol | OB_score: NA |
| PubChem_id: 12310598 | EC: - |
| Ingredient_name: spermidine | Alias: AKOS024427000; 7712AH; API0004220; 2C7H19N3.3H3O4P; S0385; BG01192050; MFCD00043283; Dispermidine triphosphate; tris(phosphoric acid); bis(spermidine); MCULE-6635730810 |
| Ingredient_formula: C7H19N3 | Ingredient_Smile: C(CCNCCCN)CN |
| Ingredient_weight: 145.25 g/mol | OB_score: NA |
| PubChem_id: 1102 | EC: 1.5.3.13 [VIEW IN KEGG] 1.5.3.14 [VIEW IN KEGG] 1.5.3.16 [VIEW IN KEGG] 1.5.3.17 [VIEW IN KEGG] 1.5.99.6 [VIEW IN KEGG] 2.3.1.248 [VIEW IN KEGG] 2.3.1.249 [VIEW IN KEGG] 2.5.1.16 [VIEW IN KEGG] 2.5.1.22 [VIEW IN KEGG] 2.5.1.44 [VIEW IN KEGG] 2.5.1.45 [VIEW IN KEGG] 2.5.1.46 [VIEW IN KEGG] 2.5.1.79 [VIEW IN KEGG] 2.5.1.128 [VIEW IN KEGG] 3.5.1.48 [VIEW IN KEGG] 3.5.1.78 [VIEW IN KEGG] 3.5.3.24 [VIEW IN KEGG] 4.1.1.96 [VIEW IN KEGG] 6.3.1.8 [VIEW IN KEGG] 6.3.1.9 [VIEW IN KEGG] |
| Ingredient_name: spermine | Alias: NA |
| Ingredient_formula: C10H26N4 | Ingredient_Smile: C(CCNCCCN)CNCCCN |
| Ingredient_weight: 202.34 g/mol | OB_score: NA |
| PubChem_id: 1103 | EC: 1.5.3.16 [VIEW IN KEGG] 1.5.3.17 [VIEW IN KEGG] 2.5.1.22 [VIEW IN KEGG] 6.3.1.9 [VIEW IN KEGG] 2.5.1.79 [VIEW IN KEGG] 2.5.1.128 [VIEW IN KEGG] |
| Ingredient_name: taxifolin | Alias: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone; (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone; (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 20254-28-8 (DELETED); trans-Dihydroquercetin; ()-Taxifolin; Taxifolin; ZINC00105077; CHEBI:17948; AIDS003061; MEGxp0_000741; 17654-26-1 (DELETED); 3,3′,4′,5,7-Pentahydroxyflavanone; (+)-Taxifolin; MLS000759539; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one; (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE; 78666_FLUKA; MLS001074712; STOCK1N-51590; DQH; T4512_SIGMA; TAXIFOLIN-(+); (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one; ACon1_000239; (+)-Dihydroquercetin; SMR000466389; 480-18-2; C01617; (2R,3R)-TRANS-DIHYDROQUERCETIN; MLS001066341; AIDS-003061; MLS000759526 |
| Ingredient_formula: C15H12O7 | Ingredient_Smile: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
| Ingredient_weight: 304.25 | OB_score: 57.84156034 |
| PubChem_id: 439533 | EC: 1.1.1.219 [VIEW IN KEGG] 1.14.11.9 [VIEW IN KEGG] 1.14.13.19 [VIEW IN KEGG] 1.14.14.81 [VIEW IN KEGG] 1.14.14.82 [VIEW IN KEGG] 1.14.20.4 [VIEW IN KEGG] 1.14.20.6 [VIEW IN KEGG] 1.14.20.5 [VIEW IN KEGG] |
| Ingredient_name: Taxifolin 4'-methyl ether | Alias: NA |
| Ingredient_formula: Not Available | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: tryptamine | Alias: tryptamine sulfate |
| Ingredient_formula: C10H12N2 | Ingredient_Smile: C1=CC=C2C(=C1)C(=CN2)CCN |
| Ingredient_weight: 160.22 g/mol | OB_score: NA |
| PubChem_id: 1150 | EC: 1.4.3.4 [VIEW IN KEGG] 1.4.3.22 [VIEW IN KEGG] 1.14.99.59 [VIEW IN KEGG] 2.1.1.49 [VIEW IN KEGG] 4.1.1.28 [VIEW IN KEGG] 4.1.1.105 [VIEW IN KEGG] 4.3.3.2 [VIEW IN KEGG] |
| Ingredient_name: tryptanthrin | Alias: AC1L2K2A; indolo[2,1-b]quinazoline-6,12-quinone; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; tryptanthrin ; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; indolo[2,1- b]quinazoline alkaloid; HMS2271H05; indolo-[2,1-b]-quinazoline-6,12-dione; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; AIDS017287; SR-01000521538; J-006143; ZINC00033299; AX8156048; BDBM50240612; 6,12-dihydro-6, 12-dioxoindolo-(2,1-b)-quinazoline; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; AIDS-017287; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459 |
| Ingredient_formula: C15H8N2O2 | Ingredient_Smile: C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2 |
| Ingredient_weight: 248.24 | OB_score: 19.28013187 |
| PubChem_id: 73549 | EC: - |
| Ingredient_name: ω-Hydroxypropioguaiacone | Alias: NA |
| Ingredient_formula: C10H12O4 | Ingredient_Smile: COC1=C(C=CC(=C1)C(=O)CCO)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.3.1.58 [VIEW IN KEGG] 2.3.1.156 [VIEW IN KEGG] 1.1.1.195 [VIEW IN KEGG] 1.11.1.7 [VIEW IN KEGG] 1.11.1.21 [VIEW IN KEGG] 2.1.1.68 [VIEW IN KEGG] |