Summary
| Herb Id: TCMCG013 | Herb name: Citrus sinensis |
| Function: To move qi, precipitate qi, relieve pain, disperse distention, free milk. | Indication: Galactostasis. |
Ingredient
| Ingredient_name: 2,4,6-trimethoxyphenol-1-o-beta-d-apiofuranosyl-(1-6)-beta-d-glucopyranoside | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 2-phloroeckol | Alias: NA |
| Ingredient_formula: C24H16O12 | Ingredient_Smile: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)O)O)O)OC5=C(C=C(C=C5O)O)O)O |
| Ingredient_weight: 496.4 g/mol | OB_score: NA |
| PubChem_id: 5320532 | EC: - |
| Ingredient_name: 5,7,4'-trimethoxyflavone | Alias: NA |
| Ingredient_formula: C18H16O5 | Ingredient_Smile: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC |
| Ingredient_weight: 312.3 g/mol | OB_score: NA |
| PubChem_id: 79730 | EC: - |
| Ingredient_name: alpha-Carotene-5,6-epoxide | Alias: α-carotene-5,6-epoxide; alpha-carotene-5,6-epoxide |
| Ingredient_formula: NA | Ingredient_Smile: CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C)(C)C |
| Ingredient_weight: 552.96 | OB_score: 48.7494814 |
| PubChem_id: NA | EC: - |
| Ingredient_name: α-narcotine | Alias: alpha-narcotine |
| Ingredient_formula: C22H23NO7 | Ingredient_Smile: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
| Ingredient_weight: 413.4 g/mol | OB_score: NA |
| PubChem_id: 275196 | EC: 1.1.1.415 [VIEW IN KEGG] 2.1.1.352 [VIEW IN KEGG] |
| Ingredient_name: alpha-Sinensal | Alias: 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-; alpha-sinensal; 2,6,10-TRIMETHYL-2,6,9,11-DODECATETRAENAL; (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal; EINECS 241-854-6; .beta.-Sinensal; C09729; 2,6,10-trimethyldodeca-2,6,9,11-tetraenal; 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (2E,6E,9E)-; α-sinensal; 29994-82-9; 4955-32-2; 17909-77-2; .alpha.-Sinensal; (E,E,E)-2,6,10-Trimethyldodeca-2,6,9,11-tetraen-1-al; 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl- |
| Ingredient_formula: C15H22O | Ingredient_Smile: CC(=CCC=C(C)C=C)CCC=C(C)C=O |
| Ingredient_weight: 218.33 | OB_score: 57.79230283 |
| PubChem_id: 5281534 | EC: 1.14.14.151 [VIEW IN KEGG] 1.14.15.39 [VIEW IN KEGG] 1.14.14.95 [VIEW IN KEGG] 1.14.15.32 [VIEW IN KEGG] 1.1.1.326 [VIEW IN KEGG] 1.3.1.92 [VIEW IN KEGG] 1.14.14.114 [VIEW IN KEGG] 1.14.14.160 [VIEW IN KEGG] |
| Ingredient_name: beta-carotene-5,6-epoxide | Alias: β-carotene-5,6-epoxide |
| Ingredient_formula: C40H56O | Ingredient_Smile: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C |
| Ingredient_weight: 552.9 g/mol | OB_score: NA |
| PubChem_id: 14192316 | EC: 1.14.14.158 [VIEW IN KEGG] 1.14.15.24 [VIEW IN KEGG] 1.14.99.63 [VIEW IN KEGG] 1.14.99.64 [VIEW IN KEGG] |
| Ingredient_name: beta-narcotine | Alias: AKOS003673314; IDI1_000323; CHEBI:95149; SCHEMBL14386820; β-narcotine; AC1L2EQH; MolPort-006-822-780; 6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; KBio1_000323; DivK1c_000323; CTK8G2016; NINDS_000323; LS-84359; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))- |
| Ingredient_formula: C22H23NO7 | Ingredient_Smile: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
| Ingredient_weight: 413.4 g/mol | OB_score: NA |
| PubChem_id: 19728 | EC: 1.1.1.415 [VIEW IN KEGG] 2.1.1.352 [VIEW IN KEGG] |
| Ingredient_name: beta-sinensal | Alias: β-sinensal |
| Ingredient_formula: C15H22O | Ingredient_Smile: CC(=CCCC(=C)C=C)CCC=C(C)C=O |
| Ingredient_weight: 218.33 g/mol | OB_score: NA |
| PubChem_id: 5281535 | EC: 1.14.14.151 [VIEW IN KEGG] 1.14.15.39 [VIEW IN KEGG] 1.14.14.95 [VIEW IN KEGG] 1.14.15.32 [VIEW IN KEGG] 1.1.1.326 [VIEW IN KEGG] 1.3.1.92 [VIEW IN KEGG] 1.14.14.114 [VIEW IN KEGG] 1.14.14.160 [VIEW IN KEGG] |
| Ingredient_name: citral | Alias: geranialdehyde; Citral, mixture of cis and trans; CITRAL NATURAL; Genanial; Citral (natural); AI3-28519; NCI-C56348; STOCK1N-24160; BRN 1721871; EINECS 226-394-6; Lemsyn GB; NSC 6170; FEMA No. 2303; CHEBI:23316; 2,6-Octadienal, 3,7-dimethyl-, (2E)-; .beta.-Citral; HSDB 993; 27450_FLUKA; LS-201; 3,7-Dimethyl-1,2,6-octadienal; cis/trans-3,7-Dimethyl-2,6-octadienal; CITRAL; Citral alpha; ZINC01529208; Geranaldehyde; (E)-3,7-Dimethyl-2,6-octadienal; Geranial; Citral A; (E)-Neral; (2E)-3,7-dimethylocta-2,6-dienal; NCGC00091550-01; WLN: VH1UY1&3Y1&U1; C83007_ALDRICH; EINECS 205-476-5; citral-b; (E)-Citral; .alpha.-Citral; BRN 1721873; 2,6-Octadienal, 3,7-dimethyl-, (E)-; LMPR01020023; C01499; Geranial and neral mixture; W230308_ALDRICH; 3,7-dimethylocta-2,6-dienal; ST5308094; Lemarome n; 5392-40-5; (E)-3,7-Dimethylocta-2,6-dienal; c1044; 3,7-Dimethyl-trans-2,6-octadienal; W230316_ALDRICH; (E)-Geranial; 4-01-00-03569 (Beilstein Handbook Reference); trans-3,7-Dimethyl-2,6-octadienal; NCGC00091550-02; AI3-01011; EPA Pesticide Chemical Code 040510; AIDS032463; NSC6170; 37350-34-8; FEMA Number 2303; CHEBI:16980; CITRAL SINTETICO; AIDS-032463; beta-Geranial; trans-Citral; geranal; Caswell No. 221B; 3,7-Dimethyl-2,6-octadienal; 2,6-Dimethyloctadien-2,6-al-8; 8022-94-4; 141-27-5; 96680-15-8; CCRIS 1043; 3-01-00-03053 (Beilstein Handbook Reference); 2,6-Octadienal, 3,7-dimethyl-; SCHEMBL3643082; alpha-Citral |
| Ingredient_formula: C10H16O | Ingredient_Smile: CC(=CCCC(=CC=O)C)C |
| Ingredient_weight: 152.23 | OB_score: 22.51593571 |
| PubChem_id: 643779 | 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: Citraurin beta | Alias: (3R)-3-Hydroxy-beta-apo-8'-carotenal; 650-69-1; C20894; All-trans-beta-citraurin; Apo-8'-zeaxanthinal; SCHEMBL2958226; (2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenal; beta-Citraurin; 3-Hydroxy-beta-apo-8'-carotenal; 3beta-hydroxy-8'-apo-beta-carotenal; beta-Citraurin [MI]; 2,4,6,8,10,12,14,16-Heptadecaoctaenal, 17-((4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E,16E)-; (3R)-3-hydroxy-8'-apo-beta-caroten-8'-al; beta-Citraurin, all-trans-; UNII-GRI2528DO7; CHEBI:53159; 8'-Apozeaxanthinal; citraurin beta; (3R)-3-hydroxy-8'-apo-beta-carotenal; GRI2528DO7 |
| Ingredient_formula: C30H40O2 | Ingredient_Smile: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
| Ingredient_weight: 432.64 | OB_score: 20.5343046 |
| PubChem_id: 9845703 | EC: 1.14.99.44 [VIEW IN KEGG] 1.13.11.84 [VIEW IN KEGG] |
| Ingredient_name: e-nerolidol | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: CC(=CCCC(=CCCC(C)(C=C)O)C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Hesperetin | Alias: BSPBio_000168; KBio1_001039; BCBcMAP01_000087; CAS-520-33-2; C01709; KBio2_005797; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one; Spectrum3_001104; KBioGR_002311; IDI1_001039; 520-33-2; Prestwick0_000124; CHEBI:61249; EINECS 208-290-2; SPBio_001745; KBio2_003229; KBio2_000661; NSC 57654; NCGC00016482-02; Spectrum2_001793; hesperetin(1-); 3',5,7-Trihydroxy-4'-methoxyflavanone; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one; Prestwick1_000124; ZINC00039092; AIDS-001413; (-)-hesperetin; Prestwick_908; BPBio1_000186; (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Spectrum5_000683; NCGC00142415-02; NINDS_001039; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate; Spectrum4_001935; Oprea1_828704; TNP00238; Prestwick3_000124; H4125_SIGMA; CHEBI:28230; SDCCGMLS-0066605.P001; KBio3_002028; SMP1_000148; SPBio_002107; DivK1c_001039; Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI); hesperetin; Prestwick2_000124; 3′,5,7-Trihydroxy-4-methoxyflavanone; Spectrum_000181; NCGC00016482-01; SPECTRUM310012; KBioSS_000661; AIDS001413; NCGC00142415-01; hesperetin anion; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone; YSO2; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one; SBB005936; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI); BSPBio_002808; (2S)-hesperetin; (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
| Ingredient_formula: C16H14O6 | Ingredient_Smile: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| Ingredient_weight: 302.28 | OB_score: 70.31208881 |
| PubChem_id: 72281 | EC: 2.3.1.74 [VIEW IN KEGG] |
| Ingredient_name: Hesperetin-5-glucoside | Alias: hesperetin-5-glucoside; AC1NSWAA; 7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Ingredient_formula: C22H24O11 | Ingredient_Smile: COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 464.42 | OB_score: 21.81624489 |
| PubChem_id: 18625123 | EC: 2.4.1.185 [VIEW IN KEGG] 2.4.1.236 [VIEW IN KEGG] |
| Ingredient_name: isosakuranetin-7-rutinoside | Alias: NA |
| Ingredient_formula: C28H34O14 | Ingredient_Smile: CC1C(C(C(C(O1)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC=C(C=C4)OC)O)O)O)O |
| Ingredient_weight: 594.56 | OB_score: 41.24012757 |
| PubChem_id: 102434921 | EC: - |
| Ingredient_name: isosalipurposide | Alias: NA |
| Ingredient_formula: C21H22O10 | Ingredient_Smile: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| Ingredient_weight: 434.4 g/mol | OB_score: NA |
| PubChem_id: 5318659 | EC: 2.4.1.185 [VIEW IN KEGG] 2.4.1.236 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] 2.4.1.286 [VIEW IN KEGG] |
| Ingredient_name: limocitrin-beta-d-glucoside | Alias: DTXSID70146085; 4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-; 103839-19-6; AC1NUSUS; limocitrin-β-d-glucoside; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Ingredient_formula: C23H24O13 | Ingredient_Smile: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| Ingredient_weight: 508.4 g/mol | OB_score: NA |
| PubChem_id: 5492077 | EC: - |
| Ingredient_name: limocitrol-beta-d-glucoside | Alias: limocitrol-β-d-glucoside |
| Ingredient_formula: C24H26O14 | Ingredient_Smile: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: limonoicacid aring lactone | Alias: limonoic acid a-ring lactone |
| Ingredient_formula: C26H32O9 | Ingredient_Smile: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)O)C)C |
| Ingredient_weight: 488.5 g/mol | OB_score: NA |
| PubChem_id: 46173816 | EC: 3.1.1.36 [VIEW IN KEGG] 2.4.1.210 [VIEW IN KEGG] |
| Ingredient_name: limonoid | Alias: NA |
| Ingredient_formula: C31H38O11 | Ingredient_Smile: CC(=O)OC1C2C(OCC2(C3CCC4(C(OC(=O)C5C4(C3(C1OC(=O)C)C)O5)C6=COC=C6)C)C=CC(=O)OC)(C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Mutatochrome | Alias: 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran; Flavochrome; 5,8-Epoxy-5,8-dihydro-b,e-carotene; AC1O5YSB; mutatochrome |
| Ingredient_formula: C40H56O | Ingredient_Smile: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CCCC3(O2)C)(C)C)C)C |
| Ingredient_weight: 552.87 | OB_score: 48.63848063 |
| PubChem_id: 5281246 | EC: 1.14.14.158 [VIEW IN KEGG] 1.14.15.24 [VIEW IN KEGG] 1.14.99.63 [VIEW IN KEGG] 1.14.99.64 [VIEW IN KEGG] |
| Ingredient_name: mutatoxanthine | Alias: NA |
| Ingredient_formula: C40H56O2 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.13.11.65 [VIEW IN KEGG] 1.13.11.84 [VIEW IN KEGG] 1.14.15.21 [VIEW IN KEGG] 1.14.15.24 [VIEW IN KEGG] 1.14.99.64 [VIEW IN KEGG] 1.23.5.1 [VIEW IN KEGG] 2.4.1.276 [VIEW IN KEGG] 1.14.14.158 [VIEW IN KEGG] 5.3.3.22 [VIEW IN KEGG] |
| Ingredient_name: narcissin | Alias: LMPK12110586; Narcissin; SCHEMBL1305421 |
| Ingredient_formula: C28H32O16 | 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)OC)O)O)O)O)O)O |
| Ingredient_weight: 624.54 | OB_score: NA |
| PubChem_id: 44258019 | EC: - |
| Ingredient_name: Narcotoline | Alias: 3-(4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one; 6-Methyl-4-hydroxy-5,6,7,8-tetrahydro-5-(3-oxo-4,5-dimethoxy-1,3-dihydroisobenzofuran-1-yl)-1,3-dioxolo[4,5-g]isoquinoline; AC1MRPAC; narcotoline |
| Ingredient_formula: C21H21NO7 | Ingredient_Smile: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3 |
| Ingredient_weight: 399.39 | OB_score: 14.93378863 |
| PubChem_id: 442330 | EC: 1.1.1.415 [VIEW IN KEGG] 2.1.1.352 [VIEW IN KEGG] |
| Ingredient_name: naringenin-4'-glucoside-7-rutinoside | Alias: NA |
| Ingredient_formula: C33H42O19 | Ingredient_Smile: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O)O |
| Ingredient_weight: 742.7 g/mol | OB_score: 3.480158309 |
| PubChem_id: 14375140 | EC: - |
| Ingredient_name: naringin | Alias: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside; AIDS-005921; naringin ; MLS000069459; AIDS005921; CHEBI:28819; AKOS015965284; Naringin; Prestwick1_000467; ACon1_000139; Prestwick3_000467; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-chromanone; C09789; BSPBio_000574; KBio1_000247; AC-20274; NINDS_000247; Naringenin 7-O-[beta-L-rhamnosyl-(1->2)-beta-D-glucoside]; Prestwick2_000467; ST072162; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; SPBio_002513; 10236-47-2; (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one; SMR000059108; 7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; MEGxp0_001877; IDI1_000247; Prestwick0_000467; DivK1c_000247; Naringenin 7-O-neohesperidoside; 4'5-diOH-Flavone-7-rhgluc; BPBio1_000632; NCGC00142617-01 |
| Ingredient_formula: C27H32O14 | Ingredient_Smile: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
| Ingredient_weight: 580.53 | OB_score: 6.917815897 |
| PubChem_id: 442428 | EC: 2.4.1.236 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] |
| Ingredient_name: Narirutin | Alias: C09793; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(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-chromanone; CHEBI:28705; LMPK12140236; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(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]oxychroman-4-one; narirutin; Naringenin 7-O-rutinoside; 14259-46-2; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(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-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(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-chroman-4-one |
| Ingredient_formula: C27H32O14 | Ingredient_Smile: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O |
| Ingredient_weight: 580.53 | OB_score: 8.147755723 |
| PubChem_id: 442431 | EC: 2.4.1.236 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] |
| Ingredient_name: nobiletin-3-o-β-d-glucoside | Alias: NA |
| Ingredient_formula: C27H32O14 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.4.1.236 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] |
| Ingredient_name: obaculactone | Alias: DTXSID8045985; DSSTox_CID_25985; Q-100083; AB0016554; NCGC00178483-01; CHEMBL517449; C-22706; DSSTox_GSID_45985; Tox21_111513_1; Limonoic acid di-.delta.-lactone; Tox21_111513; HY-17411; NCGC00263659-01; 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl-; Limonine; Spectrum4_001140; (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione; L0258; W-5068; AS-15249; NSC36508; 7,16-Dioxo-7,16-dideoxylimondiol; 180L718; Limonin; NSC 36508; Obaculactone; SDCCGMLS-0066837.P001; ACon1_001996; Limonoate D-ring-lactone; SPECTRUM1800018; DSSTox_RID_81273; Limonoic acid, di-delta-lactone; CHEBI:16226; (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione; KBioGR_001659; 1180-71-8; CAS-1180-71-8; limonoic acid di-delta-lactone; CC-29957; N1349; AC1L45NQ; SC-13316; Bio-0902; Spectrum2_001728; SPBio_001776; 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-; NCGC00178483-02; Spectrum5_000935; Evodia fruit; Limonoic acid 3,19:16,17 dilactone; Limonin, analytical standard; CCRIS 4047; CCG-38796; CS-1237; Evodin; BDBM50418089; MFCD00075922; AKOS015965307; 3-furyl(tetramethyl)[?]trione; NCGC00095714-01; AC-8045; MolPort-001-742-490; AI3-37932; ZINC4096134; (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione; SCHEMBL320315; Limonin, from citrus seeds, >90% (HPLC); BSPBio_002763; KBDSLGBFQAGHBE-MSGMIQHVSA-N; O622; UNII-L0F260866S; 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR-(2aalpha,4abeta,4bR,5aalpha,8alpha,8aalpha,10aalpha,10bR*,14aalpha))-; BRD-K05906022-001-03-6; HBL0000164; C03514; Dictamnolactone; NP-009924; limonoic acid 3,19:16,17-dilactone; 1392-24-1; Limoni; Citrolimonin; L0F260866S; KBio3_001983; Spectrum3_001012; S2319; NCGC00178483-04 |
| Ingredient_formula: C26H30O8 | Ingredient_Smile: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C |
| Ingredient_weight: 470.5 g/mol | OB_score: NA |
| PubChem_id: 179651 | EC: 2.4.1.210 [VIEW IN KEGG] 3.1.1.36 [VIEW IN KEGG] |
| Ingredient_name: Obacunoic acid | Alias: 751-29-1; obacunoic acid; obacunonic acid; DTXSID70715316; (2E)-3-[(3aS,5aR,6R,7R,9aR,9bR,10aS)-3-(Furan-3-yl)-7-(2-hydroxypropan-2-yl)-3a,6,9a-trimethyl-1,9-dioxododecahydronaphtho[2,1-c]oxireno[d]pyran-6-yl]prop-2-enoic acid; obacunoicacid; OBACUNOIC ACID; NSC314320; NSC-314320 |
| Ingredient_formula: C26H32O8 | Ingredient_Smile: CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)C=CC(=O)O |
| Ingredient_weight: 472.53 | OB_score: 20.69378821 |
| PubChem_id: 54611038 | EC: 3.1.1.46 [VIEW IN KEGG] |
| Ingredient_name: o-d-xylosylvitexin | Alias: NA |
| Ingredient_formula: C26H28O14 | Ingredient_Smile: C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.3.1.115 [VIEW IN KEGG] 2.4.2.25 [VIEW IN KEGG] |
| Ingredient_name: phlorin | Alias: NA |
| Ingredient_formula: C12H16O8 | Ingredient_Smile: C1=C(C=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)O |
| Ingredient_weight: 288.25 g/mol | OB_score: NA |
| PubChem_id: 12314169 | EC: - |
| Ingredient_name: Sinensetin | Alias: API0004181; Pedalitin permethyl ether; SR-05000002257-3; A816546; BC282855; KB-221448; 5,6,7,3',4'-Pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4-chromenone; Flavone, 5,6,7,3',4'-pentamethoxy; AKOS016009570; N2560; 240LNZ51AT; 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one #; CS-5907; FT-0634191; DTXSID60177626; ST24039240; C10186; NCGC00163623-01; SR-05000002257; 3'',4'',5,6,7-pentamethoxy flavone; sinensetin; CCG-208419; CHEMBL226507; AN-50682; DB-046067; C-57750; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromen-4-one; HY-N0297; 27181-91-5; 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one; MEGxp0_000957; CHEBI:9159; CJ-24105; ZINC1531698; ST5331679; X1234; UNII-240LNZ51AT; SR-05000002257-2; BRD-K84996949-001-01-5; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one; MolPort-001-741-112; 3',4',5,6,7-Pentamethoxyflavone; VA11761; BDBM50338975; AJ-26732; MFCD00017421; AK111262; 306S276; KB-221449; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-benzopyran-4-one; LKMNXYDUQXAUCZ-UHFFFAOYSA-N; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-; AC1L3RN3; 2306-27-6; 5,6,7,3'',4'' -pentamethoxyflavone; SCHEMBL621101; LMPK12111250; TR-010778; 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-chromone; CTK4F9237; ST50331679 |
| Ingredient_formula: C20H20O7 | Ingredient_Smile: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
| Ingredient_weight: 372.37 | OB_score: 50.55684919 |
| PubChem_id: 145659 | EC: 1.1.1.349 [VIEW IN KEGG] 1.14.14.116 [VIEW IN KEGG] |
| Ingredient_name: sinigrin | Alias: SINIGRIN_qt |
| Ingredient_formula: C10H16KNO9S2 | Ingredient_Smile: C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+] |
| Ingredient_weight: 397.5 g/mol | OB_score: 21.2075256 |
| PubChem_id: 44135691 | EC: - |
| Ingredient_name: xylylic acid nitrile | Alias: xylylicacidnitrile |
| Ingredient_formula: C9H9N | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 4.1.1.115 [VIEW IN KEGG] |
| Ingredient_name: z-nerolidol | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: CC(=CCCC(=CCCC(C)(C=C)O)C)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |