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CHEBI:31 - (+)-menthone

ChEBI IDCHEBI:31
ChEBI Name(+)-menthone
Stars
DefinitionA menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2R,5S-stereoisomer).
Last Modified6 September 2017
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESCC(C)[C@H]1CC[C@H](C)CC1=O
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyNFLGAXVYCFJBMK-DTWKUNHWSA-N
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)
(+)-menthone (CHEBI:31) is a menthone (CHEBI:36503)
(+)-menthone (CHEBI:31) is enantiomer of (−)-menthone (CHEBI:15410)
Incoming Relation(s)
(4S,7R)-7-isopropyl-4-methyloxepan-2-one (CHEBI:138383) has functional parent (+)-menthone (CHEBI:31)
(−)-menthone (CHEBI:15410) is enantiomer of (+)-menthone (CHEBI:31)
IUPAC Name 
(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanone
Synonyms  Source
(+)-MenthoneKEGG COMPOUND
(2R,5S)-2-isopropyl-5-methylcyclohexanoneIUPAC
(1S,4R)-p-menthan-3-oneIUPAC
UniProt Name  Source
(1S,4R)-menthoneUniProt
Manual XrefsDatabases
C11390KEGG COMPOUND
C00010903KNApSAcK
Registry NumbersSources
Beilstein:5245020Beilstein
Reaxys:2041367Reaxys
CAS:3391-87-5KEGG COMPOUND
CAS:3391-87-5ChemIDplus