Drug Information

Drug General Information
Drug ID
D01FGM
Former ID
DNC011125
Drug Name
CHRYSOERIOL
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531094]
Formula
C16H12O6
Canonical SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
InChIKey
SCZVLDHREVKTSH-UHFFFAOYSA-N
PubChem Compound ID
5280666
Target and Pathway
Target(s) Xanthine dehydrogenase/oxidase Target Info Inhibitor [551348]
Cytochrome P450 1B1 Target Info Inhibitor [531094]
BioCyc Pathway Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides degradation
Adenosine nucleotides degradation
Retinoate biosynthesis IIPWY66-401:Superpathway of tryptophan utilization
Superpathway of melatonin degradation
Melatonin degradation I
KEGG Pathway Purine metabolism
Caffeine metabolism
Drug metabolism - other enzymes
Metabolic pathways
Peroxisomehsa00140:Steroid hormone biosynthesis
Tryptophan metabolism
Metabolism of xenobiotics by cytochrome P450
Ovarian steroidogenesis
Chemical carcinogenesis
MicroRNAs in cancer
NetPath Pathway TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Adenine and hypoxanthine salvage pathway
Purine metabolism
PathWhiz Pathway Caffeine Metabolism
Purine Metabolism
Reactome Purine catabolismR-HSA-211976:Endogenous sterols
WikiPathways Oxidative Stress
Effects of Nitric Oxide
Metabolism of nucleotides
Selenium Micronutrient NetworkWP702:Metapathway biotransformation
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Sulindac Metabolic Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
miR-targeted genes in adipocytes - TarBase
Phase 1 - Functionalization of compounds
References
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 551348Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8.

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