Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09FMZ
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| Former ID |
DNC010011
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| Drug Name |
3-Benzyl-4-hydroxy-2H-chromen-2-one
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| Synonyms |
4-Hydroxy-3-benzylcoumarin; 15074-18-7; 3-Benzyl-4-hydroxy-2H-chromen-2-one; 3-Benzyl-4-hydroxy-chromen-2-one; 3-benzyl-4-hydroxycoumarin; 3-benzyl-4-hydroxy-2h-1-benzopyran-2-one; 3Bz-4OHBzpyran2one; 4-hydroxy-coumarin 8; CBMicro_020160; AC1L9T1B; 3-Benzyl-4-hydroxy-cumarin; Oprea1_155335; 3-benzyl-4-hydroxy-coumarin; Oprea1_579559; 3-benzyl-4 -hydroxycoumarin; SCHEMBL1648186; CHEMBL574145; BDBM2566; JMC527142 Compound 27; 3-benzyl-2-hydroxychromen-4-one; DTXSID60715769; 4-hydroxy-3-benzylchromen-2-one; MolPort-001-017-230
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H12O3
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| Canonical SMILES |
C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)O
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| InChI |
1S/C16H12O3/c17-15-12-8-4-5-9-14(12)19-16(18)13(15)10-11-6-2-1-3-7-11/h1-9,17H,10H2
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| InChIKey |
AEIVRFFWQSJCAR-UHFFFAOYSA-N
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| CAS Number |
CAS 15074-18-7
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| 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 | |||
|---|---|---|---|---|
| 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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