EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6041 - (+)-isopiperitenone

ChEBI IDCHEBI:6041
ChEBI Name(+)-isopiperitenone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILES[H][C@@]1(C(=C)C)CCC(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/t9-/m0/s1
InChIKeySEZLYIWMVRUIKT-VIFPVBQESA-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:6041) is a isopiperitenone (CHEBI:50110)
(+)-isopiperitenone (CHEBI:6041) is enantiomer of (−)-isopiperitenone (CHEBI:15408)
Incoming Relation(s)
(−)-isopiperitenone (CHEBI:15408) is enantiomer of (+)-isopiperitenone (CHEBI:6041)
IUPAC Names 
(4S)-p-mentha-1,8-dien-3-one
(6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one
Synonym  Source
IsopiperitenoneKEGG COMPOUND
Manual XrefsDatabases
C02289KEGG COMPOUND
C00010890KNApSAcK
Registry NumbersSources
Beilstein:2613177Beilstein
Beilstein:5247310Beilstein
CAS:529-01-1KEGG COMPOUND