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CHEBI:177386 - 3-(4-azidobenzyl)-4-hydroxycoumarin

ChEBI IDCHEBI:177386
ChEBI Name3-(4-azidobenzyl)-4-hydroxycoumarin
Stars
DefinitionA hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 4-azidobenzyl group. It is a photoaffinity probe used in the identification of warfarin-binding proteins present in mammalian tissue.
Last Modified17 September 2021
Submitterslaulederkind
DownloadsMolfile
FormulaC16H11N3O3
Net Charge0
Average Mass293.282
Monoisotopic Mass293.08004
SMILES[N-]=[N+]=Nc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C16H11N3O3/c17-19-18-11-7-5-10(6-8-11)9-13-15(20)12-3-1-2-4-14(12)22-16(13)21/h1-8,20H,9H2
InChIKeyDQVWNJPWGMHTDA-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor  An EC 1.6.5.* (oxidoreductase acting on NADH or NADPH with a quinone or similar as acceptor) inhibitor that interferes with the action of NAD(P)H dehydrogenase (quinone), EC 1.6.5.2.
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
3-(4-azidobenzyl)-4-hydroxycoumarin (CHEBI:177386) has role anticoagulant (CHEBI:50249)
3-(4-azidobenzyl)-4-hydroxycoumarin (CHEBI:177386) has role EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor (CHEBI:50390)
3-(4-azidobenzyl)-4-hydroxycoumarin (CHEBI:177386) is a azide (CHEBI:22680)
3-(4-azidobenzyl)-4-hydroxycoumarin (CHEBI:177386) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
3-(4-azidobenzyl)-4-hydroxy-2H-chromen-2-one
Synonyms  Source
AzBHCSUBMITTER
3-[(4-azidophenyl)methyl]-4-hydroxy-2H-1-benzopyran-2-oneIUPAC
3-(p-azidobenzyl)-4-hydroxycoumarinChEBI
Manual XrefsDatabases
19983016ChemSpider
Registry NumbersSources
CAS:133950-79-5ChemIDplus
Citations