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CHEBI:50438 - phenprocoumon

ChEBI IDCHEBI:50438
ChEBI Namephenprocoumon
Stars
DefinitionA hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group.
Secondary ChEBI IDCHEBI:494229
Last Modified22 February 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC18H16O3
Net Charge0
Average Mass280.323
Monoisotopic Mass280.10994
SMILESCCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
InChIKeyDQDAYGNAKTZFIW-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)
phenprocoumon (CHEBI:50438) has role anticoagulant (CHEBI:50249)
phenprocoumon (CHEBI:50438) has role EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor (CHEBI:50390)
phenprocoumon (CHEBI:50438) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one
INNs  Source
phenprocoumonChemIDplus
phenprocoumoneChEBI
phenprocoumonumChEBI
fenprocumonChEBI
Synonyms  Source
3-(1'-Phenyl-propyl)-4-oxycoumarinChemIDplus
3-(1-Phenylpropyl)-4-hydroxycoumarinChemIDplus
3-(alpha-Ethylbenzyl)-4-hydroxycoumarinChemIDplus
3-(alpha-Phenylpropyl)-4-hydroxycoumarinChemIDplus
4-Hydroxy-3-(1-phenylpropyl)-2H-1-benzopyran-2-oneChemIDplus
PhenprocoumarolChemIDplus
Manual XrefsDatabases
D05457KEGG DRUG
DB00946DrugBank
US2723276Patent
US2872457Patent
GB805748Patent
US3239529Patent
2138DrugCentral
Registry NumbersSources
Reaxys:1291115Reaxys
CAS:435-97-2ChemIDplus
Citations