Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04PBH
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| Former ID |
DNC013595
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| Drug Name |
CONTIGOSIDE B
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
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(O<br />4)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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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Aldose reductase | Target Info | Inhibitor | [2] | |
| Angiotensin-converting enzyme | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Methylglyoxal degradation III | ||||
| Acetone degradation I (to methylglyoxal) | |||||
| KEGG Pathway | Pentose and glucuronate interconversions | ||||
| Fructose and mannose metabolism | |||||
| Galactose metabolism | |||||
| Glycerolipid metabolism | |||||
| Metabolic pathwayshsa04614: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 MetabolismPW000563:Angiotensin Metabolism | |||||
| Reactome | Metabolism of Angiotensinogen to Angiotensins | ||||
| WikiPathways | Metapathway biotransformation | ||||
| Polyol Pathway | |||||
| Metabolism of steroid hormones and vitamin DWP554:ACE Inhibitor Pathway | |||||
| Metabolism of Angiotensinogen to Angiotensins | |||||
| References | |||||
| REF 1 | 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. | ||||
| REF 2 | J Nat Prod. 1996 Apr;59(4):443-5.Effect of Polygonum hydropiper sulfated flavonoids on lens aldose reductase and related enzymes. | ||||
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