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CHEBI:53769 - (S)-acenocoumarol

ChEBI IDCHEBI:53769
ChEBI Name(S)-acenocoumarol
Stars
ASCII Name(S)-acenocoumarol
DefinitionThe (R)-enantiomer of acenocoumarol.
Last Modified24 August 2012
SubmitterSteve
DownloadsMolfile
FormulaC19H15NO6
Net Charge0
Average Mass353.330
Monoisotopic Mass353.08994
SMILESCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
InChIInChI=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-/m0/s1
InChIKeyVABCILAOYCMVPS-HNNXBMFYSA-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)
(S)-acenocoumarol (CHEBI:53769) is a acenocoumarol (CHEBI:53766)
(S)-acenocoumarol (CHEBI:53769) is enantiomer of (R)-acenocoumarol (CHEBI:53768)
Incoming Relation(s)
(R)-acenocoumarol (CHEBI:53768) is enantiomer of (S)-acenocoumarol (CHEBI:53769)
IUPAC Name 
4-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
Synonym  Source
(-)-AcenocoumarinChemIDplus
Registry NumbersSources
Reaxys:4300222Reaxys
CAS:66556-78-3ChemIDplus