Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04PBH
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| Former ID |
DNC013595
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| Drug Name |
CONTIGOSIDE B
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| Synonyms |
Isoquercitrin; Isoquercetin; 482-35-9; Hirsutrin; 3-Glucosylquercetin; Glucosyl 3-quercetin; Quercetin 3-glucoside; Quercetol 3-glucoside; Quercetin 3-o-glucopyranoside; Quercetin 3-D-glucoside; Quercetol 3-monoglucoside; Quercetin 3-monoglucoside; Isotrifoliin; Quercetin 3-beta-glucoside; Quercetin 3-O-glucoside; quercetin-3-glucoside; Quercetin 3-beta-O-glucoside; Quercetin-3-O-glucopyranoside; UNII-6HN2PC637T; quercetin-3-O-glucoside; NSC 115918; BRN 0100989; CHEMBL250450; 6HN2PC637T; CHEBI:68352; quercetin 3-O-beta-D-glucopyran
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| Drug Type |
Small molecular drug
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| Indication | Thrombosis [ICD-11: DB61-GB90; ICD-10: I80-I82] | Phase 2/3 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H20O12
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| Canonical SMILES |
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
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| InChI |
1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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| InChIKey |
OVSQVDMCBVZWGM-QSOFNFLRSA-N
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| CAS Number |
CAS 482-35-9
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:68352
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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): Eubacteriales | ||||
|
Studied Microbe: Eubacterium ramulus
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[2] | |||
| Hierarchy | ||||
| Microbial Enzyme | Beta glucosidase | |||
| Metabolic Reaction | Deglycosylation | |||
| Resulting Metabolite | 3,4-dihydroxyphenylacetic acid | |||
| Description | Quercetin-3-glucoside can be metabolized to 3,4-dihydroxyphenylacetic acid by the beta glucosidase of Eubacterium ramulus through deglycosylation. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lactobacillales | ||||
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Studied Microbe: Enterococcus
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|
[3] | |||
| Hierarchy | ||||
| Metabolic Reaction | Deglycosylation | |||
| Resulting Metabolite | 3,4-dihydroxyphenylacetic acid | |||
| Description | Quercetin-3-glucoside can be metabolized to 3,4-dihydroxyphenylacetic-acid by Enterococcus through deglycosylation. | |||
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Studied Microbe: Enterococcus casseliflavus
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|
[2] | |||
| Hierarchy | ||||
| Microbial Enzyme | Beta glucosidase | |||
| Metabolic Reaction | Deglycosylation | |||
| Resulting Metabolite | 3,4-dihydroxyphenylacetic acid, butyrate; acetate | |||
| Description | Quercetin-3-glucoside can be metabolized to Butyrate, acetate, 3,4-dihydroxyphenylacetic acid by the beta glucosidase of Enterococcus casseliflavus through deglycosylation. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [4] |
| Angiotensin-converting enzyme (ACE) | Target Info | Inhibitor | [5] | |
| BioCyc | Methylglyoxal degradation III | |||
| Acetone degradation I (to methylglyoxal) | ||||
| KEGG Pathway | Pentose and glucuronate interconversions | |||
| Fructose and mannose metabolism | ||||
| Galactose metabolism | ||||
| Glycerolipid metabolism | ||||
| Metabolic pathways | ||||
| Renin-angiotensin system | ||||
| Chagas disease (American trypanosomiasis) | ||||
| Hypertrophic cardiomyopathy (HCM) | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| Pathwhiz Pathway | Fructose and Mannose Degradation | |||
| Pyruvate Metabolism | ||||
| Pterine Biosynthesis | ||||
| Glycerolipid Metabolism | ||||
| Galactose Metabolism | ||||
| Angiotensin Metabolism | ||||
| Reactome | Metabolism of Angiotensinogen to Angiotensins | |||
| WikiPathways | Metapathway biotransformation | |||
| Polyol Pathway | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| ACE Inhibitor Pathway | ||||
| Metabolism of Angiotensinogen to Angiotensins | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 2 | The influence of gut microbiota on drug metabolism and toxicity. Expert Opin Drug Metab Toxicol. 2016;12(1):31-40. | |||
| REF 3 | Cometabolism of microbes and host: implications for drug metabolism and drug-induced toxicity. Clin Pharmacol Ther. 2013 Nov;94(5):574-81. | |||
| REF 4 | Effect of Polygonum hydropiper sulfated flavonoids on lens aldose reductase and related enzymes. J Nat Prod. 1996 Apr;59(4):443-5. | |||
| REF 5 | Inhibitory effects of various flavonoids isolated from leaves of persimmon on angiotensin-converting enzyme activity. J Nat Prod. 1987 Jul-Aug;50(4):680-3. | |||
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