Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G1OW
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| Former ID |
DNC013985
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| Drug Name |
Quercetin 3-O-neohesperidoside
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| Synonyms |
quercetin 3-O-neohesperidoside; q-Rha-gal; CHEMBL499824; 117611-67-3; Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside; AC1NX8PX; DTXSID60151840; BDBM50260169; 3',4',5,7-Tetrahydroxy-3-(2-O-alpha-L-rhamnopyranosyl-beta-D-galactopyranosyloxy)flavone; 4H-1-Benzopyran-4-one, 3-((2-O-(6-deoxy-alphal-L-manopyranosyl)-beta-D-galactopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
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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 |
C27H30O16
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| Canonical SMILES |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O
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| InChI |
1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1
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| InChIKey |
FYBMGZSDYDNBFX-KLUVJTJFSA-N
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| CAS Number |
CAS 117611-67-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [1] |
| 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 | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| Pathwhiz Pathway | Fructose and Mannose Degradation | |||
| Pyruvate Metabolism | ||||
| Pterine Biosynthesis | ||||
| Glycerolipid Metabolism | ||||
| Galactose Metabolism | ||||
| WikiPathways | Metapathway biotransformation | |||
| Polyol Pathway | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | New flavonol oligoglycosides and polyacylated sucroses with inhibitory effects on aldose reductase and platelet aggregation from the flowers of Pru... J Nat Prod. 2002 Aug;65(8):1151-5. | |||
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