Summary
| Herb Id: TCMCG045 | Herb name: Phaseolus vulgaris |
| Function: To enrich and nourish, resolve heat, disinhibit urine, disperse swelling. | Indication: Summerheat-heat vexation and thirst, edema, beriberi. |
Ingredient
| Ingredient_name: 2'-deoxyinosine | Alias: NA |
| Ingredient_formula: C10H12N4O4 | Ingredient_Smile: C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O |
| Ingredient_weight: 252.23 | OB_score: NA |
| PubChem_id: 135398593 | EC: 2.4.2.1 [VIEW IN KEGG] 2.4.2.4 [VIEW IN KEGG] 3.1.3.5 [VIEW IN KEGG] 3.1.3.89 [VIEW IN KEGG] 3.5.4.4 [VIEW IN KEGG] |
| Ingredient_name: 2-furancarboxylicacid | Alias: furan-2-carboxylate; A842479; 2-furancarboxylic acid; 2-Furancarboxylate; AC1NUSVC; CHEBI:16739; 2-Furoate; ZB006931 |
| Ingredient_formula: C5H3O3- | Ingredient_Smile: C1=COC(=C1)C(=O)[O-] |
| Ingredient_weight: 111.08 g/mol | OB_score: NA |
| PubChem_id: 5460151 | EC: - |
| Ingredient_name: 6'-o-beta-d-glucosylgentiopicroside | Alias: NA |
| Ingredient_formula: C22H30O14 | Ingredient_Smile: C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| Ingredient_weight: 518.5 g/mol | OB_score: NA |
| PubChem_id: 78384985 | EC: - |
| Ingredient_name: adeninenucleoside | Alias: NA |
| Ingredient_formula: C10H13N5O4 | Ingredient_Smile: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| Ingredient_weight: 267.24 g/mol | OB_score: NA |
| PubChem_id: 60961 | EC: 1.1.3.39 [VIEW IN KEGG] 2.4.2.1 [VIEW IN KEGG] 2.5.1.153 [VIEW IN KEGG] 2.7.1.20 [VIEW IN KEGG] 2.7.1.114 [VIEW IN KEGG] 3.1.3.5 [VIEW IN KEGG] 3.1.3.6 [VIEW IN KEGG] 3.2.2.1 [VIEW IN KEGG] 3.2.2.7 [VIEW IN KEGG] 3.5.4.4 [VIEW IN KEGG] 3.13.2.1 [VIEW IN KEGG] 3.13.2.3 [VIEW IN KEGG] 2.4.2.4 [VIEW IN KEGG] 2.7.1.113 [VIEW IN KEGG] 2.7.1.145 [VIEW IN KEGG] 3.1.3.89 [VIEW IN KEGG] 3.1.5.1 [VIEW IN KEGG] |
| Ingredient_name: beta-estradiol | Alias: β-estradiol |
| Ingredient_formula: C18H24O2 | Ingredient_Smile: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O |
| Ingredient_weight: 272.4 g/mol | OB_score: NA |
| PubChem_id: 5757 | EC: 1.1.1.51 [VIEW IN KEGG] 1.1.1.62 [VIEW IN KEGG] 1.14.14.1 [VIEW IN KEGG] 1.14.14.14.1.14.99.11 [VIEW IN KEGG] 2.4.1.17 [VIEW IN KEGG] 2.8.2.15 [VIEW IN KEGG] 1.1.1.148 [VIEW IN KEGG] |
| 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: chrysanthemin | Alias: cyanidin-3-glucoside; Chrysanthemin; LMPK12010110; cyanidin 3-glucoside; Cyanidin 3-O-glucoside |
| Ingredient_formula: C28H58O | Ingredient_Smile: C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
| Ingredient_weight: 410.76 | OB_score: 1.788656726 |
| PubChem_id: 44256715 | EC: - |
| Ingredient_name: chrysanthemol | Alias: chrysanthemol ; ZINC15208543; MolPort-044-723-367; (+)-Chrysanthemol[terpene] |
| Ingredient_formula: C10H18O | Ingredient_Smile: CC(=CC1C(C1(C)C)CO)C |
| Ingredient_weight: 154.25 g/mol | OB_score: NA |
| PubChem_id: 110685 | 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: cyanin | Alias: LMPK12010113; Cyanidin 3,5-diglucoside; cyanine; Cyanin |
| Ingredient_formula: C27H31O16+ | Ingredient_Smile: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| Ingredient_weight: 611.5 g/mol | OB_score: 47.42092269 |
| PubChem_id: 441688 | EC: 2.3.1.153 [VIEW IN KEGG] 2.3.1.215 [VIEW IN KEGG] 2.4.1.298 [VIEW IN KEGG] 2.4.1.299 [VIEW IN KEGG] 2.4.1.297 [VIEW IN KEGG] 2.4.1.300 [VIEW IN KEGG] |
| Ingredient_name: d-alpha-pipecoline | Alias: d-α-pipecoline |
| Ingredient_formula: C6H13N | Ingredient_Smile: CC1CCCCN1 |
| Ingredient_weight: 99.17 g/mol | OB_score: NA |
| PubChem_id: 7974 | EC: 1.4.3.12 [VIEW IN KEGG] 3.10.1.2 [VIEW IN KEGG] |
| Ingredient_name: delphin | Alias: Delphin; SCHEMBL318115; LMPK12010283; DELPHIN |
| Ingredient_formula: C27H31O17+ | Ingredient_Smile: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| Ingredient_weight: 627.5 g/mol | OB_score: NA |
| PubChem_id: 44256888 | EC: 2.4.1.297 [VIEW IN KEGG] 2.3.1.153 [VIEW IN KEGG] 2.4.1.238 [VIEW IN KEGG] 2.4.1.298 [VIEW IN KEGG] 2.4.1.299 [VIEW IN KEGG] 2.4.1.300 [VIEW IN KEGG] |
| Ingredient_name: delphindin | Alias: NA |
| Ingredient_formula: C15H11O7 | Ingredient_Smile: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.3.1.77 [VIEW IN KEGG] 1.14.20.4 [VIEW IN KEGG] 2.4.1.115 [VIEW IN KEGG] |
| Ingredient_name: delphinidin-3-glucoside | Alias: delphinidin-3-glu-coside |
| Ingredient_formula: C21H21O12+ | Ingredient_Smile: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 465.4 g/mol | OB_score: 16.27233963 |
| PubChem_id: 443650 | EC: 2.3.1.171 [VIEW IN KEGG] 2.3.1.215 [VIEW IN KEGG] 2.4.1.115 [VIEW IN KEGG] 2.4.1.297 [VIEW IN KEGG] 2.4.1.298 [VIEW IN KEGG] 2.4.1.299 [VIEW IN KEGG] 2.4.1.300 [VIEW IN KEGG] 2.4.2.51 [VIEW IN KEGG] |
| Ingredient_name: delphinidin-3-o-β-d-(6-(e)-p-coumaryl)galactopyranoside | Alias: delphinidin 3-o-beta-d-(6-(e)-p-coumaryl)galactopyranoside |
| Ingredient_formula: C30H27O14+ | Ingredient_Smile: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.3.1.215 [VIEW IN KEGG] |
| Ingredient_name: glucosamine | Alias: NA |
| Ingredient_formula: C6H13NO5 | Ingredient_Smile: C(C1C(C(C(C(O1)O)N)O)O)O |
| Ingredient_weight: 179.17 g/mol | OB_score: NA |
| PubChem_id: 439213 | EC: 2.3.1.3 [VIEW IN KEGG] 2.7.1.1 [VIEW IN KEGG] 2.7.1.8 [VIEW IN KEGG] 2.7.1.147 [VIEW IN KEGG] 3.2.1.165 [VIEW IN KEGG] 3.5.1.33 [VIEW IN KEGG] 3.10.1.1 [VIEW IN KEGG] 2.6.1.50 [VIEW IN KEGG] 2.7.1.65 [VIEW IN KEGG] 2.7.1.179 [VIEW IN KEGG] 3.1.3.92 [VIEW IN KEGG] 1.5.3.26 [VIEW IN KEGG] |
| Ingredient_name: Isomyricitrin | Alias: 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromone; isomyricitrin; 5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4-chromenone; 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; 5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Ingredient_formula: C21H20O13 | Ingredient_Smile: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| Ingredient_weight: 480.4 g/mol | OB_score: 2.683619877 |
| PubChem_id: 5318606 | EC: - |
| Ingredient_name: isonarthogenin | Alias: NA |
| Ingredient_formula: C28H46O4 | Ingredient_Smile: CCC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5(CCC(CO5)CO)C |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.14.14.179 [VIEW IN KEGG] |
| Ingredient_name: kaempferol-3-rhamnosyl glucoside-7-glucoside | Alias: NA |
| Ingredient_formula: C33H40O20 | Ingredient_Smile: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Kaempferol-7-rhamnoside | Alias: 79YJI9GIF1; 3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-{[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}CHROMEN-4-ONE; Kaempferol-7-O-α-L-rhamnoside; 4H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-; BG01140711; kaempferol-7-o-alpha-l-rhamnoside; CHEMBL1289337; kaempferol-7-rhamnoside; UNII-79YJI9GIF1; Alpha-Rhamnoisorobin; AKOS032949016; SCHEMBL571498; DTXSID60174034; ZINC59589077; Kaempferol 7-O-rhamnoside; 20196-89-8; BDBM50331857 |
| Ingredient_formula: C21H20O10 | Ingredient_Smile: CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O |
| Ingredient_weight: 432.38 | OB_score: 28.87686217 |
| PubChem_id: 25079965 | EC: 2.4.1.105 [VIEW IN KEGG] 2.4.1.106 [VIEW IN KEGG] 2.3.1.115 [VIEW IN KEGG] 2.4.1.81 [VIEW IN KEGG] 2.4.1.236 [VIEW IN KEGG] 2.4.2.25 [VIEW IN KEGG] 2.4.1.170 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] |
| Ingredient_name: l-beta-cyanolanine | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| 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: leucopelargonidin | Alias: (+)-leucopelargonidin; 3,4,5,7,4'-pentahydroxyflavan; 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol; FT-0627804; ACM520172; SCHEMBL18196214; Leucopelargonidin; 2H-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(4-hydroxyphenyl)-; (2R,3S,4S)-3,4,5,7,3,4-Hexahydroxyflavan; AC1MMJ46; 3,4,4',5,7-Flavanpentol; Leucopelargonidine; 520-17-2 |
| Ingredient_formula: C15H14O6 | Ingredient_Smile: C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O |
| Ingredient_weight: 290.27 | OB_score: 57.96955947 |
| PubChem_id: 3286789 | 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: leurocolumbine | Alias: NA |
| Ingredient_formula: C46H58N4O10 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: oestrone | Alias: NA |
| Ingredient_formula: C18H22O2 | Ingredient_Smile: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
| Ingredient_weight: 270.4 g/mol | OB_score: NA |
| PubChem_id: 5870 | EC: 1.1.1.51 [VIEW IN KEGG] 1.1.1.62 [VIEW IN KEGG] 1.1.1.148 [VIEW IN KEGG] 1.14.14.1 [VIEW IN KEGG] 1.14.14.14 [VIEW IN KEGG] 2.4.1.17 [VIEW IN KEGG] 2.8.2.4 [VIEW IN KEGG] 2.8.2.15 [VIEW IN KEGG] 3.1.6.1 [VIEW IN KEGG] |
| Ingredient_name: Pelargonidin-3,5-diglucoside | Alias: pelargonidin-3,5-diglucoside |
| Ingredient_formula: C27H31ClO15 | Ingredient_Smile: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-] |
| Ingredient_weight: 631 g/mol | OB_score: 10.9564535 |
| PubChem_id: 15199439 | EC: - |
| Ingredient_name: pelargonidin-3-galactoside | Alias: NA |
| Ingredient_formula: C21H21ClO10 | Ingredient_Smile: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O.[Cl-] |
| Ingredient_weight: 468.8 g/mol | OB_score: NA |
| PubChem_id: 76326438 | EC: - |
| Ingredient_name: petunidin-3-glucoside | Alias: NA |
| Ingredient_formula: C22H23O12+ | Ingredient_Smile: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 479.4 g/mol | OB_score: NA |
| PubChem_id: 443651 | EC: - |
| Ingredient_name: peucedanin | Alias: HMS2675C08; Oprea1_837278; SMR000102964; AB00053108-02; NCGC00095695-02; BRD-K72034655-001-02-1; MLS001049116; 2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6-hydroxy-2-isopropyl-3-methoxy-, delta-lactone; BSPBio_003373; KBio2_007162; 5-19-06-00042 (Beilstein Handbook Reference); SCHEMBL2249089; CHEBI:8034; Spectrum4_001666; Spectrum5_000571; KBio2_004594; MolPort-000-882-022; 6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactone; MCULE-2664497001; 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one; SPBio_000658; AC1L1RCV; 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one; CHEMBL1410943; AKOS000278122; 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin; CCG-40070; KBioGR_002191; Oreoselone methyl ether; 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one; KBioSS_002026; SPECTRUM1504168; KBio1_001992; NCGC00095695-01; ST50909203; 3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one; STK396320; C09283; MEGxp0_001552; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2-ISOPROPYL-3-METHOXY-; Spectrum3_001647; 7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-; Spectrum_001546; LS-70731; Peutsedin; SpecPlus_000952; Bio-0240; YQBNJPACAUPNLV-UHFFFAOYSA-; CTK4B8448; N021633LOB; UNII-N021633LOB; 133-26-6; Peucedanin; Spectrum2_000729; 3-Methoxy-2-(1-methylethyl)-7 H -furo[3,2- g ][1]benzopyran-7-one; 2-Isopropyl-3-methoxy-7 H -furo[3,2- g ][1]benzopyran-7-one; SDCCGMLS-0066802.P001; KBio3_002593; DTXSID10157897; DivK1c_007048; InChI=1/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3; NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one; KBio2_002026; ZINC1912; 6-methoxy-7-(methylethyl)furano[3,2-g]chromen-2-one; Oprea1_190644; BRN 0234473 |
| Ingredient_formula: C15H14O4 | Ingredient_Smile: CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC |
| Ingredient_weight: 258.27 g/mol | OB_score: NA |
| PubChem_id: 8616 | EC: - |
| Ingredient_name: phaseollin | Alias: NA |
| Ingredient_formula: C20H18O4 | Ingredient_Smile: CC1(C=CC2=C(O1)C=CC3=C2OC4C3COC5=C4C=CC(=C5)O)C |
| Ingredient_weight: 322.4 g/mol | OB_score: NA |
| PubChem_id: 91572 | EC: - |
| Ingredient_name: phaseollinisoflavan | Alias: CHEMBL465812; UNII-3A9F71823M; Phaseollinisoflavan; AC1L4R8F; CHEBI:109; 3A9F71823M; LMPK12080014; 6-(7-hydroxychroman-3-yl)-2,2-dimethyl-2H-chromen-5-ol; DTXSID60193326; (3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol; (3R)-3,4-Dihydro-2',2'-dimethyl-3,6'-bi[2H-1-benzopyran]-5',7-diol; C10515; 40323-57-7; AC1Q7BE7; Phaseollin (isoflavan); (-)-Phaseollinisoflavan; 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol; (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-; (3,6'-bi-2h-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-,(r)- |
| Ingredient_formula: C20H20O4 | Ingredient_Smile: CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C=C(C=C4)O)OC3)C |
| Ingredient_weight: 324.4 g/mol | OB_score: NA |
| PubChem_id: 162412 | EC: 4.2.1.97 [VIEW IN KEGG] |
| Ingredient_name: phytolaccoside b | Alias: NA |
| Ingredient_formula: C36H56O11 | Ingredient_Smile: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC |
| Ingredient_weight: 664.8 g/mol | OB_score: NA |
| PubChem_id: 118701276 | EC: - |
| Ingredient_name: pipecolic acid | Alias: pipecolic acid ; pipecolicacid |
| Ingredient_formula: C6H11NO2 | Ingredient_Smile: C1CCNC(C1)C(=O)O |
| Ingredient_weight: 129.16 g/mol | OB_score: NA |
| PubChem_id: 849 | EC: 1.5.1.1 [VIEW IN KEGG] 1.5.1.21 [VIEW IN KEGG] 1.14.13.247 [VIEW IN KEGG] 1.5.3.7 [VIEW IN KEGG] 1.5.99.3 [VIEW IN KEGG] 3.5.1.101 [VIEW IN KEGG] 4.3.1.28 [VIEW IN KEGG] 1.2.1.3 [VIEW IN KEGG] 1.4.3.4 [VIEW IN KEGG] 1.5.3.15 [VIEW IN KEGG] |
| Ingredient_name: propane-1-thiol | Alias: NA |
| Ingredient_formula: C3H8S | Ingredient_Smile: CCCS |
| Ingredient_weight: 76.16 g/mol | OB_score: NA |
| PubChem_id: 7848 | EC: - |
| Ingredient_name: propane-2-thiol | Alias: NA |
| Ingredient_formula: C3H8S | Ingredient_Smile: CC(C)S |
| Ingredient_weight: 76.16 g/mol | OB_score: NA |
| PubChem_id: 6364 | EC: - |
| Ingredient_name: sandosaponin a | Alias: NA |
| Ingredient_formula: C48H76O19 | Ingredient_Smile: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
| Ingredient_weight: 957.1 g/mol | OB_score: NA |
| PubChem_id: 178247 | EC: - |
| Ingredient_name: sandosaponin b | Alias: NA |
| Ingredient_formula: C48H76O19 | Ingredient_Smile: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
| Ingredient_weight: 957.1 g/mol | OB_score: NA |
| PubChem_id: 177385 | EC: - |
| Ingredient_name: sandrapin a | Alias: NA |
| Ingredient_formula: C33H40O14 | Ingredient_Smile: CC(=O)OC1C2C(C(C(C1OC(=O)C)(C)C)CC(=O)OC)(C(=O)C3C(C4(C(OC(=O)C(C4(C3=C)O2)OC(=O)C)C5=COC=C5)C)O)C |
| Ingredient_weight: 660.7 g/mol | OB_score: NA |
| PubChem_id: 101268501 | EC: - |
| Ingredient_name: Soyasaponin V | Alias: soyasaponin v |
| Ingredient_formula: C48H78O19 | Ingredient_Smile: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
| Ingredient_weight: 959.12 | OB_score: 2.210538076 |
| PubChem_id: 91973815 | EC: - |
| Ingredient_name: sparassol | Alias: methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 |
| Ingredient_formula: C10H12O4 | Ingredient_Smile: CC1=CC(=CC(=C1C(=O)OC)O)OC |
| Ingredient_weight: 196.2 g/mol | OB_score: NA |
| PubChem_id: 596344 | 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: 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: - |