Drug Information
Drug General Information | Top | |||
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Drug ID |
D06BHJ
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Former ID |
DNC010012
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Drug Name |
3-(3,4-Dimethylbenzyl)-4-hydroxy-2H-chromen-2-one
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Synonyms |
CHEMBL576116; BDBM35551; 4-hydroxy-2H-chromen-2-one core, 28
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C18H16O3
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Canonical SMILES |
CC1=C(C=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)O)C
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InChI |
1S/C18H16O3/c1-11-7-8-13(9-12(11)2)10-15-17(19)14-5-3-4-6-16(14)21-18(15)20/h3-9,19H,10H2,1-2H3
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InChIKey |
YGMVKOKEKHJHOV-UHFFFAOYSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Quinone reductase 1 (NQO1) | Target Info | Inhibitor | [1] |
KEGG Pathway | Ubiquinone and other terpenoid-quinone biosynthesis | |||
NetPath Pathway | TCR Signaling Pathway | |||
Pathwhiz Pathway | Vitamin K Metabolism | |||
Pathway Interaction Database | Validated transcriptional targets of TAp63 isoforms | |||
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 | Top | |||
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REF 1 | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J Med Chem. 2009 Nov 26;52(22):7142-56. |
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