Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0G1OW
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| Former ID |
DNC013985
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| Drug Name |
Quercetin 3-O-neohesperidoside
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| 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)<br />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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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Aldose reductase | 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 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 | |||||
| REF 1 | J Nat Prod. 2002 Aug;65(8):1151-5.New flavonol oligoglycosides and polyacylated sucroses with inhibitory effects on aldose reductase and platelet aggregation from the flowers of Prunus mume. | ||||
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