| Drug General Information |
| Drug ID |
D01FGM
|
| Former ID |
DNC011125
|
| Drug Name |
CHRYSOERIOL
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| 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 |
|
| Target and Pathway |
| Target(s) |
Xanthine dehydrogenase/oxidase |
Target Info |
Inhibitor |
[2]
|
|---|
| Cytochrome P450 1B1 |
Target Info |
Inhibitor |
[1]
|
|
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
|
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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 1 | Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity. |
|---|
| REF 2 | Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8. |
|---|
