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CHEBI:87732 - 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one

Default Structure
ChEBI IDCHEBI:87732
ChEBI Name4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one
Stars
DefinitionA member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.
Last Modified7 November 2023
SubmitterSteve
DownloadsMolfile
FormulaC19H16O4
Net Charge0
Average Mass308.333
Monoisotopic Mass308.10486
SMILESCC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
InChIKeyPJVWKTKQMONHTI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one (CHEBI:87732) is a benzenes (CHEBI:22712)
4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one (CHEBI:87732) is a hydroxycoumarin (CHEBI:37912)
4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one (CHEBI:87732) is a methyl ketone (CHEBI:51867)
Incoming Relation(s)
(R)-warfarin (CHEBI:87737) is a 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one (CHEBI:87732)
(S)-warfarin (CHEBI:87738) is a 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one (CHEBI:87732)
IUPAC Name 
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
Synonyms  Source
1-(4'-hydroxy-3'-coumarinyl)-1-phenyl-3-butanoneChEBI
2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-ChEBI
3-(1'-phenyl-2'-acetylethyl)-4-hydroxycoumarinChEBI
3-(acetonylbenzyl)-4-hydroxycoumarinChEBI
3-(alpha-phenyl-beta-acetylaethyl)-4-hydroxycumarinChEBI
3-(α-acetonylbenzyl)-4-hydroxycoumarinChEBI