CHEBI:50438 - phenprocoumon

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ChEBI Name phenprocoumon
ChEBI ID CHEBI:50438
Definition A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:494229
Supplier Information
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Formula C18H16O3
Net Charge 0
Average Mass 280.31780
Monoisotopic Mass 280.110
InChI InChI=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
InChIKey DQDAYGNAKTZFIW-UHFFFAOYSA-N
SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Roles Classification
Biological Role(s): 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(s): anticoagulant
An agent that prevents blood clotting.
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ChEBI Ontology
Outgoing 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 Sources
fenprocumon ChEBI
phenprocoumon ChemIDplus
phenprocoumone ChEBI
phenprocoumonum ChEBI
Synonyms Sources
3-(1'-Phenyl-propyl)-4-oxycoumarin ChemIDplus
3-(1-Phenylpropyl)-4-hydroxycoumarin ChemIDplus
3-(alpha-Ethylbenzyl)-4-hydroxycoumarin ChemIDplus
3-(alpha-Phenylpropyl)-4-hydroxycoumarin ChemIDplus
4-Hydroxy-3-(1-phenylpropyl)-2H-1-benzopyran-2-one ChemIDplus
4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one ChEMBL
Fenprocumone DrugBank
Phenprocoumarol ChemIDplus
Phenprocoumarole ChemIDplus
Phenprocumone DrugBank
Manual Xrefs Databases
2138 DrugCentral
D05457 KEGG DRUG
DB00946 DrugBank
GB805748 Patent
US2723276 Patent
US2872457 Patent
US3239529 Patent
View more database links
Registry Numbers Types Sources
1291115 Reaxys Registry Number Reaxys
1291115 Beilstein Registry Number Beilstein
435-97-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
17275317 PubMed citation ChEMBL
Last Modified
22 February 2017