Summary
| Herb Id: TCMCG075 | Herb name: Theobroma cacao |
| Function: To warm yang, disinhibit urine, raise spirit. | Indication: NA |
Ingredient
| Ingredient_name: 3t-o-α-l-arabinopyranosylcinnamtannin b1 | Alias: NA |
| Ingredient_formula: C50H44O22 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C5C6C(C(OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)OC9C(C(C(CO9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 3t-o-arabinopyranosyl-ent-epicatechin-(2α鈫?,4α鈫?)-catechin | Alias: NA |
| Ingredient_formula: C35H32O16 | Ingredient_Smile: C1C(C(OC2=C3C4C(C(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)OC7C(C(C(CO7)O)O)O)C8=CC(=C(C=C8)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 3t-o-β-d-galactopyranosylcinnamtannin b1 | Alias: NA |
| Ingredient_formula: C51H46O23 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C5C6C(C(OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)OC9C(C(C(C(O9)CO)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: 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: Chlorogenin | Alias: (25R)-5alpha-spirostan-3beta,6alpha-diol; chlorogenin; LMST01080086 |
| Ingredient_formula: C27H44O4 | Ingredient_Smile: CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C |
| Ingredient_weight: 432.64 | OB_score: 12.93778709 |
| PubChem_id: 52931478 | EC: 1.1.1.181 [VIEW IN KEGG] 1.14.14.29 [VIEW IN KEGG] 1.14.15.16 [VIEW IN KEGG] 1.14.15.18 [VIEW IN KEGG] |
| Ingredient_name: epicatechin-8-c-β-d-galactopyranoside | Alias: NA |
| Ingredient_formula: C21H24O11 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(C(C(O3)CO)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: - |
| Ingredient_name: Procyanidin B1 | Alias: Epicatechin(4b->8)catechin; SCHEMBL676745; (4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol; Q-100247; Procyanidin dimer B1; 20315-25-7; (2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; AKOS030530133; Epicatechin-(4beta->8)-ent-epicatechin; procyanidin b1; LMPK12030001; Proanthocyanidin B1; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol; ZINC26490620; EC-(4b,8)-C; HY-N0795; BG01789588; (2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-4-[(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-YL]-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; cis,trans′′-4,8′′-Bi-(3,3′,4′,5,7-Pentahydroxyflavane); Endotelon; CHEBI:75633; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; 19542_FLUKA; AK554016; Procyanidol oligomer; CS-5955; UNII-0566J48E7X; Procyanidin-B1; 4,8-Bi-(3,3',4',5,7-Pentahydroxyflavane); Ambap20315-25-7; Epicatechin(4beta->8)catechin; cis,trans''-4,8''-Bi-(3,3',4',5,7-Pentahydroxyflavane); (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol; 0566J48E7X; 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; CHEMBL504937; (2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; XFZJEEAOWLFHDH-UKWJTHFESA-N; Procyanidin B1, analytical standard; MFCD01861512; C30H26O12; V0244; MolPort-003-927-506; cis,trans inverted exclamation marka inverted exclamation marka-4,8 inverted exclamation marka inverted exclamation marka-Bi-(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane); FT-0686682; Procyanidin B |
| Ingredient_formula: C30H26O12 | Ingredient_Smile: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Ingredient_weight: 578.52 | OB_score: 67.87346174 |
| PubChem_id: 11250133 | EC: - |
| Ingredient_name: procyanidin b5 | Alias: NA |
| Ingredient_formula: C30H26O12 | Ingredient_Smile: C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Ingredient_weight: 578.5 g/mol | OB_score: NA |
| PubChem_id: 124017 | EC: - |
| Ingredient_name: (?)-salsolinol | Alias: NA |
| Ingredient_formula: C10H13NO2 | Ingredient_Smile: CC1C2=CC(=C(C=C2CCN1)O)O |
| Ingredient_weight: NA | OB_score: NA |
| PubChem_id: NA | EC: 2.6.1.57 [VIEW IN KEGG] 2.6.1.107 [VIEW IN KEGG] |
| Ingredient_name: salvianolic acid a | Alias: 4CN-1253; AC-20308; 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid; SCHEMBL10041475; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid; 2-(3,4-Dihydroxystyryl)-3,4-dihydroxycinnamic acid alpha-carboxy-3,4-dihydroxyphenethyl ester; Benzenepropanoic acid, a-[[(2E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-; Dimethyl methyldopa HCL; Salvianolicacid A; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid; AKOS015965219; 3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]acryloyl]oxy-propionic acid; AC1O1L81; Benzenepropanoic acid, alpha-((3-(2-(2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E,E))-; BC216311; Salvianolic acid A; 96574-01-5; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxyphenyl]-1-oxoprop-2-enoxy]propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid; salvianolicacid a; C10492 |
| Ingredient_formula: C26H22O10 | Ingredient_Smile: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C(C(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O)O)O |
| Ingredient_weight: 494.45 | OB_score: 2.956732261 |
| PubChem_id: 5281793 | EC: - |
| Ingredient_name: theobromine | Alias: KBio1_000611; Thesodate; DivK1c_000611; Theostene; NCGC00016023-02; Thesal; 2,6-Dihydroxy-3,7-dimethylpurine; CAS-83-67-0; NCGC00024123-04; 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; MLS000028407; NCGC00016023-01; T4500_SIGMA; Spectrum2_000985; Spectrum3_000279; Theosalvose; 37T; SMR000058357; Theobromine [BAN]; Xanthine, 3,7-dimethyl-; Theobromine (natural); SPBio_002868; BRN 0016464; 83-67-0; KBio2_000433; AIDS022717; Theobromine; 3,7-dimethylpurine-2,6-dione; 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI); EU-0101187; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine; ZINC00002151; NSC5039; Spectrum_000053; NSC 5039; 5-26-13-00553 (Beilstein Handbook Reference); BPBio1_001043; Lopac-T-4500; SDCCGMLS-0002875.P003; Prestwick1_000874; Spectrum5_001387; Prestwick0_000874; Prestwick3_000874; KBio2_003001; KBioSS_000433; KBio3_001258; NCGC00024123-05; IDI1_000611; BSPBio_000947; 5-26-13-00553 (Beilstein); WLN: T56 BN DN FNVMVJ B1 F1; KBio2_005569; SPBio_001049; KBioGR_000666; Theobromin; Lopac0_001187; PDSP2_001001; Santheose; BSPBio_001758; AIDS-022717; SBB012378; SC 15090; FEMA No. 3591; CCRIS 2350; EINECS 201-494-2; Prestwick2_000874; PDSP1_001017; CHEBI:28946; Spectrum4_000403; Prestwick_1054; Teobromin; NINDS_000611; Diurobromine; LS-1828; 2,6-Dihydroxy-3,7-dimethyl-purine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; C07480; c1095; NCGC00024123-08; SPECTRUM1500649 |
| Ingredient_formula: C7H8N4O2 | Ingredient_Smile: CN1C=NC2=C1C(=O)NC(=O)N2C |
| Ingredient_weight: 180.16 | OB_score: 69.2867196 |
| PubChem_id: 5429 | EC: 1.14.13.178 [VIEW IN KEGG] 1.14.13.179 [VIEW IN KEGG] 1.17.3.2 [VIEW IN KEGG] 2.1.1.159 [VIEW IN KEGG] 2.1.1.160 [VIEW IN KEGG] 1.14.14.1 [VIEW IN KEGG] 2.3.1.5 [VIEW IN KEGG] |
| Ingredient_name: theophylline | Alias: NA |
| Ingredient_formula: C7H8N4O2 | Ingredient_Smile: CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Ingredient_weight: 180.16 g/mol | OB_score: NA |
| PubChem_id: 2153 | EC: 1.14.13.178 [VIEW IN KEGG] 1.14.13.179 [VIEW IN KEGG] 1.17.3.2 [VIEW IN KEGG] 2.1.1.159 [VIEW IN KEGG] 2.1.1.160 [VIEW IN KEGG] 1.14.14.1 [VIEW IN KEGG] 2.3.1.5 [VIEW IN KEGG] |