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CHEBI:48933 - piperitone

ChEBI IDCHEBI:48933
ChEBI Namepiperitone
Stars
DefinitionA p-menthane monoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6.
Last Modified13 June 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1=CC(=O)C(C(C)C)CC1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
InChIKeyYSTPAHQEHQSRJD-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
piperitone (CHEBI:48933) has role plant metabolite (CHEBI:76924)
piperitone (CHEBI:48933) has role volatile oil component (CHEBI:27311)
piperitone (CHEBI:48933) is a p-menthane monoterpenoid (CHEBI:25186)
piperitone (CHEBI:48933) is a cyclic terpene ketone (CHEBI:36130)
Incoming Relation(s)
(+)-piperitone (CHEBI:41) is a piperitone (CHEBI:48933)
(−)-piperitone (CHEBI:48934) is a piperitone (CHEBI:48933)
IUPAC Name 
3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
Synonyms  Source
6-Isopropyl-3-methylcyclohex-2-enoneChemIDplus
3-methyl-6-(1-methylethyl)-2-cyclohexen-1-oneChemIDplus
3-CarvomenthenoneChemIDplus
p-Menth-1-en-3-oneChemIDplus
Manual XrefsDatabases
US2972632Patent
PiperitoneWikipedia
HMDB0034975HMDB
Registry NumbersSources
Reaxys:1907772Reaxys
CAS:89-81-6ChemIDplus
Citations