Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02HCQ
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| Former ID |
DNC000424
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| Drug Name |
Chlorogenic acid
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| Synonyms |
CHLOROGENIC ACID; 327-97-9; 3-Caffeoylquinic acid; 3-O-Caffeoylquinic acid; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Chlorogenate; Heriguard; Hlorogenic acid; Caffeoyl quinic acid; NSC-407296; 3-Caffeoylquinate; UNII-318ADP12RI; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; CCRIS 1400; Chlorogenic acid (8CI); EINECS 206-325-6; NSC 70861; NSC 407296; 3-trans-Caffeoylquinic acid; CHEMBL284616; 318ADP12RI; CHEBI:16112; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); 3-(3,4-Dihydroxycinnamoyl)quinate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H18O9
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| Canonical SMILES |
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
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| InChI |
1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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| InChIKey |
CWVRJTMFETXNAD-JUHZACGLSA-N
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| CAS Number |
CAS 202650-88-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4109, 841192, 3132414, 8138359, 8141741, 8144862, 9138302, 10321213, 11537477, 14852127, 14901019, 24855563, 24892649, 26613128, 26680368, 28325521, 29203942, 34977531, 47276643, 47350390, 47647542, 47796075, 47944827, 48095566, 48170476, 49698484, 49831677, 49855353, 50113455, 50113456, 50113457, 53788034, 56463713, 57409210, 57648145, 57654010, 80503265, 85165180, 85788779, 87565351, 88783197, 92124901, 92125380, 92298045, 92298694, 92710980, 93165905, 103207024, 103913693, 104253542
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| ChEBI ID |
CHEBI:16112
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [2] | |||
| Resulting Metabolite | 3-hydroxycinnamic-acid; 3-(3-hydroxyphenyl)propionic-acid | |||
| Metabolic Effect | Increase activity | |||
| Description | Chlorogenic acid can be metabolized to 3-hydroxycinnamic-acid; 3-(3-hydroxyphenyl)propionic-acid by gut microbiota, which results in the increase of the drug's activity. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Glucose-6-phosphate translocase (SLC37A4) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Carbohydrate digestion and absorption | |||
| Pathwhiz Pathway | Gluconeogenesis | |||
| Mitochondrial Electron Transport Chain | ||||
| Reactome | Glucose transport | |||
| WikiPathways | Metabolism of carbohydrates | |||
| Hexose transport | ||||
| References | Top | |||
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| REF 1 | Chlorogenic acid and synthetic chlorogenic acid derivatives: novel inhibitors of hepatic glucose-6-phosphate translocase. J Med Chem. 1997 Jan 17;40(2):137-45. | |||
| REF 2 | Gut Pharmacomicrobiomics: the tip of an iceberg of complex interactions between drugs and gut-associated microbes. Gut Pathog. 2012 Nov 30;4(1):16. | |||
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