CHEBI:36503 - menthone

ChEBI IDCHEBI:36503
ChEBI Namementhone
Stars
DefinitionThe trans-stereoisomer of p-menthan-3-one.
Last Modified21 September 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESCC1CCC(C(C)C)C(=O)C1
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
InChIKeyNFLGAXVYCFJBMK-UHFFFAOYSA-N
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
menthone (CHEBI:36503) is a p-menthan-3-one (CHEBI:36742)
Incoming Relation(s)
(+)-menthone (CHEBI:31) is a menthone (CHEBI:36503)
(−)-menthone (CHEBI:15410) is a menthone (CHEBI:36503)
IUPAC Name 
rel-(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanone
Synonyms  Source
(2R,5S)-rel-5-methyl-2-(1-methylethyl)cyclohexanoneChemIDplus
rel-(1R,4S)-p-menthan-3-oneIUPAC
rel-(2R,5S)-2-isopropyl-5-methylcyclohexanoneIUPAC
trans-5-methyl-2-(1-methylethyl)cyclohexanoneNIST Chemistry WebBook
trans-p-menthan-3-oneNIST Chemistry WebBook
trans-menthan-3-oneChemIDplus
UniProt Name  Source
menthoneUniProt
Registry NumbersSources
Beilstein:10073224Beilstein
CAS:89-80-5ChemIDplus
CAS:89-80-5NIST Chemistry WebBook