CHEBI:36742 - p-menthan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name p-menthan-3-one
ChEBI ID CHEBI:36742
ChEBI ASCII Name p-menthan-3-one
Definition A p-menthane monoterpenoid that is p-menthane substituted by an oxo group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36497, CHEBI:25188
Supplier Information
Download Molfile XML SDF
Formula C10H18O
Net Charge 0
Average Mass 154.24932
Monoisotopic Mass 154.13577
InChI InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
InChIKey NFLGAXVYCFJBMK-UHFFFAOYSA-N
SMILES CC(C)C1CCC(C)CC1=O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing p-menthan-3-one (CHEBI:36742) has role plant metabolite (CHEBI:76924)
p-menthan-3-one (CHEBI:36742) has role volatile oil component (CHEBI:27311)
p-menthan-3-one (CHEBI:36742) is a p-menthane monoterpenoid (CHEBI:25186)
Incoming isomenthone (CHEBI:36493) is a p-menthan-3-one (CHEBI:36742)
menthone (CHEBI:36503) is a p-menthan-3-one (CHEBI:36742)
IUPAC Name
5-methyl-2-(propan-2-yl)cyclohexanone
Synonyms Sources
2-isopropyl-5-methylcyclohexanone NIST Chemistry WebBook
5-methyl-2-(1-methylethyl)cyclohexanone NIST Chemistry WebBook
5-methyl-2-(isopropyl)cyclohexanone NIST Chemistry WebBook
p-menthan-3-one IUPAC
Registry Numbers Types Sources
10458-14-7 CAS Registry Number NIST Chemistry WebBook
10458-14-7 CAS Registry Number ChemIDplus
637156 Gmelin Registry Number Gmelin
774527 Beilstein Registry Number Beilstein
774527 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24206217 PubMed citation Europe PMC
Last Modified
26 June 2014