Drug General Information
Drug ID
D0K4PY
Former ID
DNC008191
Drug Name
LIQUIRTIGENIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL

Formula
C15H12O4
Canonical SMILES
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI
1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKey
FURUXTVZLHCCNA-AWEZNQCLSA-N
PubChem Compound ID
Target and Pathway
Target(s) Xanthine dehydrogenase/oxidase Target Info Inhibitor [1]
Cytochrome P450 19 Target Info Inhibitor [2]
BioCyc Pathway Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides degradation
Adenosine nucleotides degradation
Retinoate biosynthesis IIPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Purine metabolism
Caffeine metabolism
Drug metabolism - other enzymes
Metabolic pathways
Peroxisomehsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Adenine and hypoxanthine salvage pathway
Purine metabolismP02727:Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Caffeine Metabolism
Purine MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome Purine catabolismR-HSA-211976:Endogenous sterols
WikiPathways Oxidative Stress
Effects of Nitric Oxide
Metabolism of nucleotides
Selenium Micronutrient NetworkWP702:Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
REF 1Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8.
REF 2Bioorg Med Chem. 2008 Sep 15;16(18):8466-70. Epub 2008 Aug 19.Screening of herbal constituents for aromatase inhibitory activity.

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