Drug Information

Drug General Information
Drug ID
D0G1OW
Former ID
DNC013985
Drug Name
Quercetin 3-O-neohesperidoside
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526409]
Structure
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2D MOL

3D MOL
Formula
C27H30O16
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
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
InChIKey
FYBMGZSDYDNBFX-KLUVJTJFSA-N
PubChem Compound ID
5748416
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [526409]
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 526409J 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.
Ref 526409J 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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