Drug Information

Drug General Information
Drug ID
D0V0DB
Former ID
DNC010797
Drug Name
9-Hydroxy-7,8-benzoflavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530867]
Structure
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2D MOL

3D MOL
Formula
C19H12O3
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=CC=C4O)C=C3
InChI
1S/C19H12O3/c20-15-8-4-7-13-9-10-14-16(21)11-17(22-19(14)18(13)15)12-5-2-1-3-6-12/h1-11,20H
InChIKey
UQEKEVFKEDHKOB-UHFFFAOYSA-N
PubChem Compound ID
46887421
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530867]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterols
WikiPathways 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 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

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