phenprocoumon (CHEBI:50438)

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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	ChemicalBook:CB8309112, eMolecules:477080, ZINC000000157526

Download	Molfile XML SDF

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Formula

C18H16O3

Net Charge

Average Mass

280.31780

Monoisotopic Mass

280.10994

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.

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

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

Citation	Type	Source
17275317	PubMed citation	ChEMBL

Last Modified

22 February 2017