Drug Information

Drug General Information
Drug ID
D0A2FO
Former ID
DNC003744
Drug Name
(+/-)-7-methoxy-2-phenylchroman-4-one
Synonyms
7-methoxy-2-phenylchroman-4-one
Indication Discovery agent Investigative [530614]
Structure
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2D MOL

3D MOL
Canonical SMILES
COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3
InChI
1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKey
VYESEQLQFXUROZ-UHFFFAOYSA-N
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529180]
Amine oxidase [flavin-containing] B Target Info Inhibitor [530614]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00260:Glycine, serine and threonine metabolism
Arginine and proline metabolism
Histidine metabolism
Tyrosine metabolism
Phenylalanine metabolism
Tryptophan metabolism
Drug metabolism - cytochrome P450
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Amphetamine addiction
Alcoholism
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesisP00001:Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Alpha-synuclein signaling
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 compoundsWP465:Tryptophan metabolism
Dopamine metabolism
Phase 1 - Functionalization of compounds
References
Ref 530614Bioorg Med Chem. 2010 Feb;18(3):1273-9. Epub 2010 Jan 4.A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors.
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 530614Bioorg Med Chem. 2010 Feb;18(3):1273-9. Epub 2010 Jan 4.A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors.

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