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CHEBI:143952 - (Z,S)-cinerolone

ChEBI IDCHEBI:143952
ChEBI Name(Z,S)-cinerolone
Stars
ASCII Name(Z,S)-cinerolone
DefinitionA β-hydroxy ketone that is cyclopent-2-en-1-one which is substituted at positions 2, 3, and 4 by (2Z)-but-2-en-1-yl, methyl, and hydroxy groups, respectively (the 2S enantiomer).
Last Modified31 October 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H14O2
Net Charge0
Average Mass166.220
Monoisotopic Mass166.09938
SMILESC/C=C\CC1=C(C)[C@@H](O)CC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-8-7(2)9(11)6-10(8)12/h3-4,9,11H,5-6H2,1-2H3/b4-3-/t9-/m0/s1
InChIKeyYLKLJBPHNWWPSF-TYRPZCRBSA-N
ChEBI Ontology
Outgoing Relation(s)
(Z,S)-cinerolone (CHEBI:143952) is a alicyclic ketone (CHEBI:36132)
(Z,S)-cinerolone (CHEBI:143952) is a enone (CHEBI:51689)
(Z,S)-cinerolone (CHEBI:143952) is a monoterpenoid (CHEBI:25409)
(Z,S)-cinerolone (CHEBI:143952) is a secondary allylic alcohol (CHEBI:134396)
(Z,S)-cinerolone (CHEBI:143952) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(4S)-2-[(2Z)-but-2-en-1-yl]-4-hydroxy-3-methylcyclopent-2-en-1-one
Synonyms  Source
2-(2Z)-2-buten-1-yl-4-hydroxy-3-methyl-2-cyclopenten-1-oneChemIDplus
cinerolonNIST Chemistry WebBook
cis-cineroloneNIST Chemistry WebBook
Z-cineroloneNIST Chemistry WebBook
(4S)-2-(2'-cis-butenyl)-3-methyl-4-hydroxy-2-cyclopenten-1-oneChEBI
(4S)-cis-cineroloneChEBI
UniProt Name  Source
(Z,S)-cineroloneUniProt
Registry NumbersSources
CAS:17190-74-8ChemIDplus
CAS:17190-74-8NIST Chemistry WebBook
Citations