Drug General Information
Drug ID
D09ITX
Former ID
DNC010008
Drug Name
2-Benzyl-1-hydroxy-3H-benzo[f]chromen-3-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530490]
Structure
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2D MOL

3D MOL

Formula
C20H18O3
Canonical SMILES
C1CCC2=C(C1)C=CC3=C2C(=C(C(=O)O3)CC4=CC=CC=C4)O
InChI
1S/C20H18O3/c21-19-16(12-13-6-2-1-3-7-13)20(22)23-17-11-10-14-8-4-5-9-15(14)18(17)19/h1-3,6-7,10-11,21H,4-5,8-9,12H2
InChIKey
VVGMGNIOZFKXQQ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) NAD(P)H dehydrogenase [quinone] 1 Target Info Inhibitor [530490]
KEGG Pathway Ubiquinone and other terpenoid-quinone biosynthesis
NetPath Pathway TCR Signaling Pathway
Pathway Interaction Database Validated transcriptional targets of TAp63 isoforms
PathWhiz Pathway Vitamin K Metabolism
WikiPathways Estrogen metabolism
Oxidative Stress
Transcriptional activation by NRF2
NRF2 pathway
Nuclear Receptors Meta-Pathway
Aryl Hydrocarbon Receptor Pathway
Apoptosis-related network due to altered Notch3 in ovarian cancer
Metabolism of amino acids and derivatives
Aryl Hydrocarbon Receptor
Dopamine metabolism
Arylhydrocarbon receptor (AhR) signaling pathway
References
Ref 530490J Med Chem. 2009 Nov 26;52(22):7142-56.Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
Ref 530490J Med Chem. 2009 Nov 26;52(22):7142-56.Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).

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