Summary
| Herb Id: TCMCG018 | Herb name: Cucumis sativus |
| Function: To clear heat, disinhibit water, resolve toxin. | Indication: Febrile diseases thirst, short voidings of reddish urine, burns and scalds, scant urine with edema, sweat macule, prickly heat. |
Ingredient
| Ingredient_name: 24-methylcholest-5-en-3belta-ol | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 2,4-nonadienicacid | Alias: 2,4-nonadienic acid |
| Ingredient_formula: C9H14O2 | Ingredient_Smile: CCCCC=CC=CC(=O)O |
| Ingredient_weight: 154.21 g/mol | OB_score: NA |
| PubChem_id: 54498674 | EC: - |
| Ingredient_name: (24s)-methylcholest-7-en-3β-ol | Alias: NA |
| Ingredient_formula: NA | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 2,6-nonadienal | Alias: FEMA No. 3377; (2E,6E)-Nona-2,6-dien-1-al; EINECS 209-178-6; FEMA No. 3766; 2-trans,6-trans-Nonadienal; EINECS 241-557-1; (2E,6E)-nona-2,6-dienal; 2-trans-6-cis-Nonadienal; (2E,6Z)-Nona-2,6-dien-1-al; trans,cis-2,6-Nonadienal; AI3-36011; 2-trans-6-cis-Nonadien-1-al; 2,6-Nonadienal, trans,cis-; 2,6-NONADIENAL, (E,Z)-; (2E,6Z)-Nonadienal; 4-01-00-03560 (Beilstein Handbook Reference); 26370-28-5; LMFA06000046; Violet leaf aldehyde; Nona-2,6-dienal; ZINC01531150; 2,6-Nonadienal, (E,E)-; AI3-36037; trans, trans-2,6-Nonadienal; trans-2-trans-6-Nonadienal; (2E)-nona-2,6-dienal; CCRIS 4502; EINECS 247-632-5; Cucumber aldehyde; 17587-33-6; 2,6-Nonadienal, (2E,6E)-; BRN 1720980; 2,6-Nonadienal, trans,trans-; W376604_ALDRICH |
| Ingredient_formula: C9H14O | Ingredient_Smile: CCC=CCCC=CC=O |
| Ingredient_weight: 138.21 | OB_score: 59.18613767 |
| PubChem_id: 636687 | EC: - |
| Ingredient_name: 2,6-NONADIENOL | Alias: EINECS 227-394-9; 2,6-Nonadien-1-ol; nona-2,6-dien-1-ol; Cucumber alcohol; 2,6-Nonadien-1-ol, (2E,6Z)-; (E,Z)-2,6-nonadienol; AI3-36036; 28069-72-9; (2E,6E)-Nona-2,6-dien-1-ol; (2E,6Z)-Nona-2,6-dien-1-ol; FEMA No. 2780; EINECS 248-816-8; 5820-89-3; 2,6-nonadienol; 2-trans-6-cis-Nonadien-1-ol; 2,6-Nonadien-1-ol, (E,Z)-; Violet-leaf alcohol; (E,Z)-2,6-Nonadien-1-ol; 7786-44-9; ZINC02012062; EINECS 232-097-2 |
| Ingredient_formula: C9H16O | Ingredient_Smile: CCC=CCCC=CCO |
| Ingredient_weight: 140.22 | OB_score: 23.77168682 |
| PubChem_id: 34134 | EC: - |
| Ingredient_name: 2e,6z-nonadienal | Alias: NA |
| Ingredient_formula: C9H14O | Ingredient_Smile: CCC=CCCC=CC=O |
| Ingredient_weight: 138.21 g/mol | OB_score: NA |
| PubChem_id: 643731 | EC: - |
| Ingredient_name: cucumerin a | Alias: NA |
| Ingredient_formula: C29H28O11 | Ingredient_Smile: CC(C1=CC=C(C=C1)O)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O |
| Ingredient_weight: 552.5 g/mol | OB_score: NA |
| PubChem_id: 44257649 | EC: - |
| Ingredient_name: cucumerin b | Alias: NA |
| Ingredient_formula: C29H28O11 | Ingredient_Smile: CC(C1=CC=C(C=C1)O)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O |
| Ingredient_weight: 552.5 g/mol | OB_score: NA |
| PubChem_id: 44257648 | EC: - |
| Ingredient_name: cucurbitacin a | Alias: NA |
| Ingredient_formula: C32H46O9 | Ingredient_Smile: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)CO)C)C)O)O |
| Ingredient_weight: 574.7 g/mol | OB_score: NA |
| PubChem_id: 5281315 | EC: - |
| Ingredient_name: cucurbitacin b | Alias: Cucurbitacine (B); acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; LMST01010104; NSC144154; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; C08794; NSC49451; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; Datisca principle B; [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; acetic acid [(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; Cucurbitacin B; Datiscn Principle B; [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; NCI60_004184; 6199-67-3 |
| Ingredient_formula: C32H46O8 | Ingredient_Smile: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O |
| Ingredient_weight: 558.7 | OB_score: 25.90001407 |
| PubChem_id: 180751 | EC: 1.3.1.5 [VIEW IN KEGG] |
| Ingredient_name: Cucurbitacin C | Alias: CUCURBITACIN C; 19-Nor-9beta,10alpha-lanosta-5,23-diene-11,22-dione, 3beta,16alpha,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate; cucurbitacin c; 19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-11,22-dione, 3.beta.,16.alpha.,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate; 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; acetic acid [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; Cucurbitacine (C); LS-97295; [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; NSC94744; AC1O5G8S; [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 5988-76-1; HSDB 3477; [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3beta,9beta,10alpha,16alpha,23E)-; [(E)-6-[(3S,10R,16R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; NSC 94744; LMST01010105; acetic acid [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-11-keto-4,4,13,14-tetramethyl-9-methylol-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; C08795; 25-(Acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-19-norlanosta-5,23-diene-11,22-dione; 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-11,22-dione, 3-beta,16-alpha,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate |
| Ingredient_formula: C32H48O8 | Ingredient_Smile: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)O)CO)C)C)O)O |
| Ingredient_weight: 560.72 | OB_score: 20.52437779 |
| PubChem_id: 44559416 | EC: 1.3.1.5 [VIEW IN KEGG] |
| Ingredient_name: Cucurbitacin D | Alias: cucurbitacin d; elatericin |
| Ingredient_formula: C30H44O7 | Ingredient_Smile: CC1(C2=CCC3C4(CC(C(C4CC(=O)C3(C2CC(C1=O)O)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C |
| Ingredient_weight: 516.67 | OB_score: 13.61476031 |
| PubChem_id: 44387852 | EC: - |
| Ingredient_name: cucurbitacin e | Alias: NSC521775; acetic acid [(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; .alpha.-Elaterine; [(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; LMST01010107; .alpha.-Elaterin; NCI60_000150; 19-Nor-9.beta.,10.alpha.-lanosta-1,5,23-triene-3,11,22-trione, 2,16.alpha.,20,25-tetrahydroxy-9-methyl-, 25-acetate; [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; ELATERIN, ALPHA; [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; Cucurbitacine E; 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-; Cucurbitacin E; [(6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; [(6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 18444-66-1; C08797; acetic acid [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester |
| Ingredient_formula: C32H44O8 | Ingredient_Smile: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O |
| Ingredient_weight: 556.7 g/mol | OB_score: NA |
| PubChem_id: 5353547 | EC: - |
| Ingredient_name: cucurbitacin f-25-acetate | Alias: cucurbitacin f 25-acetate |
| Ingredient_formula: C32H48O8 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 1.3.1.5 [VIEW IN KEGG] |
| Ingredient_name: gama-nonalactone | Alias: NA |
| Ingredient_formula: C9H16O2 | Ingredient_Smile: CCCCCC1CCOC1=O |
| Ingredient_weight: 156.22 g/mol | OB_score: NA |
| PubChem_id: 559675 | EC: 3.7.1.7 [VIEW IN KEGG] |
| Ingredient_name: homoorientin | Alias: LMPK12110469; SCHEMBL1706772 |
| Ingredient_formula: C21H20O11 | Ingredient_Smile: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 448.4 g/mol | OB_score: NA |
| PubChem_id: 5382105 | EC: 3.2.1.40 [VIEW IN KEGG] 2.1.1.78 [VIEW IN KEGG] 2.4.1.81 [VIEW IN KEGG] 2.4.1.236 [VIEW IN KEGG] 2.4.1.91 [VIEW IN KEGG] 2.4.1.159 [VIEW IN KEGG] 2.4.1.239 [VIEW IN KEGG] 2.4.1.234 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] |
| Ingredient_name: isoquercitrin | Alias: BDBM84979; FT-0627504; ISOQUERCITRIN |
| Ingredient_formula: C21H20O12 | Ingredient_Smile: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 464.38 | OB_score: NA |
| PubChem_id: 51402807 | EC: 2.3.1.116 [VIEW IN KEGG] 2.4.1.91 [VIEW IN KEGG] 2.4.1.159 [VIEW IN KEGG] 2.4.1.239 [VIEW IN KEGG] 2.4.2.35 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 3.2.1.40 [VIEW IN KEGG] 2.4.1.237 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] |
| Ingredient_name: isoscoparin 2''-o-(6'''-(e)-coumaroyl)glucoside-4'-o-glucoside | Alias: NA |
| Ingredient_formula: C43H48O23 | Ingredient_Smile: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: isoscoparin 2''-o-(6'''-(e)-p-coumaroyl)glucoside | Alias: NA |
| Ingredient_formula: C37H38O18 | Ingredient_Smile: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: isovitexin | Alias: beta-D-isovitexin; LMPK12110338; Iso Vitexin; CHEBI:18330; 61383-34-4; C01714; 61838-34-4; 29702-25-8; 6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavone; 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7- dihydroxy-2-(4-hydroxyphenyl)-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 6-Glucosylapigenin; Isovitexin; Apigenin-6-C-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; Apigenin 6-C-glucoside; 38953-85-4; NCGC00163578-01; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; Saponaretin; 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)- (VAN); AIDS339232; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 6-C-Glucosylapigenin; AIDS-339232 |
| Ingredient_formula: C21H20O10 | Ingredient_Smile: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 432.4 g/mol | OB_score: 31.29464288 |
| PubChem_id: 162350 | 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: isovitexin 2''-o-(6'''-(e)-feruloyl)glucoside-4'-o-glucoside | Alias: NA |
| Ingredient_formula: C43H48O23 | Ingredient_Smile: COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)O)CO)O)O)O)O)O)O |
| Ingredient_weight: 932.8 g/mol | OB_score: NA |
| PubChem_id: 44257786 | EC: - |
| Ingredient_name: isovitexin 2''-o-(6'''-(e)-p-coumaroyl)glucoside | Alias: NA |
| Ingredient_formula: C36H36O17 | Ingredient_Smile: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O)CO)O)O)O)O)O)O |
| Ingredient_weight: 740.7 g/mol | OB_score: NA |
| PubChem_id: 44257727 | EC: - |
| Ingredient_name: isovitexin 2''-o-(6'''-(e)-p-coumaroyl)glucoside-4'-o-glucoside | Alias: NA |
| Ingredient_formula: C42H46O22 | Ingredient_Smile: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)O)CO)O)O)O)O)O)O |
| Ingredient_weight: 902.8 g/mol | OB_score: NA |
| PubChem_id: 44257785 | EC: - |
| Ingredient_name: orientin | Alias: 28608-75-5; Orientin; CHEBI:7781; luteolin-8-C-beta-D-glucopyranoside; Lutexin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; AIDS026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; Luteolin 8-C-glucoside; 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-glucosylluteolin; 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; C10114; LMPK12110470; AIDS-026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-; Orientin (Flavone); Luteolin 8-C-beta-D-glucopyranoside; Luteolin 8-glucoside; 8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone |
| Ingredient_formula: C21H20O11 | Ingredient_Smile: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| Ingredient_weight: 448.38 | OB_score: 1.789859742 |
| PubChem_id: 5281675 | EC: 3.2.1.40 [VIEW IN KEGG] 2.1.1.78 [VIEW IN KEGG] 2.4.1.81 [VIEW IN KEGG] 2.4.1.236 [VIEW IN KEGG] 2.4.1.91 [VIEW IN KEGG] 2.4.1.159 [VIEW IN KEGG] 2.4.1.239 [VIEW IN KEGG] 2.4.1.234 [VIEW IN KEGG] 1.21.3.6 [VIEW IN KEGG] |
| Ingredient_name: p-coumaric acid | Alias: CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 |
| Ingredient_formula: C9H8O3 | Ingredient_Smile: C1=CC(=CC=C1C=CC(=O)S)O |
| Ingredient_weight: 164.16 | OB_score: 43.29024064 |
| PubChem_id: 448496 | EC: 1.1.1.110 [VIEW IN KEGG] 1.1.1.237 [VIEW IN KEGG] 1.4.1.20 [VIEW IN KEGG] 1.4.3.2 [VIEW IN KEGG] 1.4.5.1 [VIEW IN KEGG] 1.13.11.27 [VIEW IN KEGG] 2.1.1.281 [VIEW IN KEGG] 2.6.1.1 [VIEW IN KEGG] 2.6.1.5 [VIEW IN KEGG] 2.6.1.9 [VIEW IN KEGG] 2.6.1.21 [VIEW IN KEGG] 2.6.1.28 [VIEW IN KEGG] 2.6.1.57 [VIEW IN KEGG] 2.6.1.58 [VIEW IN KEGG] 2.6.1.64 [VIEW IN KEGG] 2.6.1.70 [VIEW IN KEGG] 4.1.1.43 [VIEW IN KEGG] 4.2.1.51 [VIEW IN KEGG] 4.2.1.91 [VIEW IN KEGG] 5.3.2.1 [VIEW IN KEGG] 1.3.8.15 [VIEW IN KEGG] 1.14.14.91 [VIEW IN KEGG] 1.14.18.1 [VIEW IN KEGG] 2.4.1.126 [VIEW IN KEGG] 2.8.3.17 [VIEW IN KEGG] 4.1.1.102 [VIEW IN KEGG] 4.3.1.23 [VIEW IN KEGG] 4.3.1.25 [VIEW IN KEGG] 6.2.1.12 [VIEW IN KEGG] 1.3.1.11 [VIEW IN KEGG] 1.14.13.14 [VIEW IN KEGG] 2.4.1.114 [VIEW IN KEGG] 5.3.2.1 [VIEW IN KEGG] 3.2.1.21 [VIEW IN KEGG] 2.4.1.209 [VIEW IN KEGG] 6.4.1.8 [VIEW IN KEGG] 1.1.1.195 [VIEW IN KEGG] 1.2.1.44 [VIEW IN KEGG] 2.1.1.68 [VIEW IN KEGG] 1.14.13.127 [VIEW IN KEGG] |
| Ingredient_name: trans-methyl p-coumarate | Alias: NA |
| Ingredient_formula: C10H10O3 | Ingredient_Smile: Not Available |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | 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: 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: vitexin | Alias: 49513_FLUKA; vitexin ; vitexin-7-olate anion; Flavone, 8-D-glucosyl-4',5,7-trihydroxy-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; vitexin-7-olate; vitex-in; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-Glucopyranosyl-apigenin; 521-33-5; CHEBI:16954; 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Vitexin; vitexin-7-olate(1-); 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; Apigenin 8-C-glucoside; 8C-hexosyl apigenin; (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol; CHEBI:57963; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-.beta.-D- glucopyranosyl-2-(4-hydroxyphenyl)-; 8-C-beta-glucopyranosylapigenin; 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-; NCGC00163642-01; C01460; EINECS 222-963-8; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; vitexin anion; 3681-93-4; AIDS026705; AIDS-026705 |
| Ingredient_formula: C21H20O10 | Ingredient_Smile: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O |
| Ingredient_weight: 432.38 | OB_score: 3.050036243 |
| PubChem_id: 5280441 | 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] |