Drug General Information
Drug ID
D00HVZ
Former ID
DNC007437
Drug Name
(+/-)-7-methoxy-2-(4-methoxyphenyl)chroman-4-one
Synonyms
7-methoxy-2-(4-methoxyphenyl)chroman-4-one
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL

Canonical SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC
InChI
1S/C17H16O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-9,16H,10H2,1-2H3
InChIKey
YAEYGSBLDUIDTP-UHFFFAOYSA-N
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [2]
Amine oxidase [flavin-containing] B Target Info Inhibitor [1]
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 1Bioorg 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 2J Med Chem. 2007 Jun 14;50(12):2799-806. Epub 2007 May 19.Synthesis and biological evaluation of (+/-)-abyssinone II and its analogues as aromatase inhibitors for chemoprevention of breast cancer.

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