Drug Information

Drug General Information
Drug ID
D0B8PE
Former ID
DNC008194
Drug Name
2-(3-hydroxyphenyl)-7-methoxychroman-4-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529180]
Structure
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2D MOL

3D MOL
Formula
C16H14O4
Canonical SMILES
COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=CC=C3)O
InChI
1S/C16H14O4/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,15,17H,9H2,1H3
InChIKey
YETISVQJYRETIF-UHFFFAOYSA-N
PubChem Compound ID
10355761
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529180]
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 529180Bioorg Med Chem. 2008 Feb 1;16(3):1474-80. Epub 2007 Oct 22.New 7,8-benzoflavanones as potent aromatase inhibitors: synthesis and biological evaluation.
Ref 529180Bioorg Med Chem. 2008 Feb 1;16(3):1474-80. Epub 2007 Oct 22.New 7,8-benzoflavanones as potent aromatase inhibitors: synthesis and biological evaluation.

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