CHEBI:50110 - isopiperitenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isopiperitenone
ChEBI ID CHEBI:50110
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14475, CHEBI:24912
Supplier Information
Download Molfile XML SDF
Formula C10H14O
Net Charge 0
Average Mass 150.21756
Monoisotopic Mass 150.10447
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3
InChIKey SEZLYIWMVRUIKT-UHFFFAOYSA-N
SMILES CC(=C)C1CCC(C)=CC1=O
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via p-menthadien-3-one )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isopiperitenone (CHEBI:50110) is a p-menthadien-3-one (CHEBI:26153)
Incoming (−)-isopiperitenone (CHEBI:15408) is a isopiperitenone (CHEBI:50110)
(+)-isopiperitenone (CHEBI:6041) is a isopiperitenone (CHEBI:50110)
IUPAC Names
3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one
p-mentha-1,8-dien-3-one
Synonyms Sources
3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-one NIST Chemistry WebBook
6-isopropenyl-3-methyl-2-cyclohexen-1-one NIST Chemistry WebBook
Isopiperitenon ChemIDplus
isopiperitenone UniProt
Registry Numbers Types Sources
1935030 Beilstein Registry Number Beilstein
529-01-1 CAS Registry Number ChemIDplus
529-01-1 CAS Registry Number NIST Chemistry WebBook
6890729 Beilstein Registry Number Beilstein
Last Modified
02 November 2017