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CHEBI:50110 - isopiperitenone

ChEBI IDCHEBI:50110
ChEBI Nameisopiperitenone
Stars
Secondary ChEBI IDsCHEBI:14475, CHEBI:24912
Last Modified2 November 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESC=C(C)C1CCC(C)=CC1=O
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3
InChIKeySEZLYIWMVRUIKT-UHFFFAOYSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
isopiperitenone (CHEBI:50110) is a p-menthadien-3-one (CHEBI:26153)
Incoming Relation(s)
(+)-isopiperitenone (CHEBI:6041) is a isopiperitenone (CHEBI:50110)
(−)-isopiperitenone (CHEBI:15408) is a isopiperitenone (CHEBI:50110)
IUPAC Names 
p-mentha-1,8-dien-3-one
3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one
Synonyms  Source
6-isopropenyl-3-methyl-2-cyclohexen-1-oneNIST Chemistry WebBook
3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-oneNIST Chemistry WebBook
IsopiperitenonChemIDplus
UniProt Name  Source
isopiperitenoneUniProt
Registry NumbersSources
Beilstein:1935030Beilstein
Beilstein:6890729Beilstein
CAS:529-01-1NIST Chemistry WebBook
CAS:529-01-1ChemIDplus