CHEBI:53768 - (R)-acenocoumarol

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ChEBI Name (R)-acenocoumarol
ChEBI ID CHEBI:53768
ChEBI ASCII Name (R)-acenocoumarol
Definition The (R)-enantiomer of acenocoumarol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000085546922
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Formula C19H15NO6
Net Charge 0
Average Mass 353.32550
Monoisotopic Mass 353.08994
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m1/s1
InChIKey VABCILAOYCMVPS-OAHLLOKOSA-N
SMILES CC(=O)C[C@H](c1ccc(cc1)[N+]([O-])=O)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.
(via acenocoumarol )
Application(s): anticoagulant
An agent that prevents blood clotting.
(via acenocoumarol )
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ChEBI Ontology
Outgoing (R)-acenocoumarol (CHEBI:53768) is a acenocoumarol (CHEBI:53766)
(R)-acenocoumarol (CHEBI:53768) is enantiomer of (S)-acenocoumarol (CHEBI:53769)
Incoming (S)-acenocoumarol (CHEBI:53769) is enantiomer of (R)-acenocoumarol (CHEBI:53768)
IUPAC Name
4-hydroxy-3-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
Registry Numbers Types Sources
4300221 Reaxys Registry Number Reaxys
66556-77-2 CAS Registry Number ChemIDplus
Last Modified
24 August 2012