CHEBI:61551 - (5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
ChEBI ID CHEBI:61551
ChEBI ASCII Name (5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
Definition A dihydrocarvone compound having the exocyclic isopropenyl double bond reduced and (R)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16O
Net Charge 0
Average Mass 152.23340
Monoisotopic Mass 152.12012
InChI InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
InChIKey WPGPCDVQHXOMQP-SECBINFHSA-N
SMILES CC(C)[C@@H]1CC=C(C)C(=O)C1
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one (CHEBI:61551) has role allergen (CHEBI:50904)
(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one (CHEBI:61551) is a dihydrocarvones (CHEBI:61672)
IUPAC Name
(5R)-2-methyl-5-(1-methylethyl)cyclohex-2-en-1-one
Synonyms Sources
(-)-(5R)-1-isopropyl-2-methyl-2-cyclohexen-1-one ChemIDplus
(R)-(-)-carvotanacetone ChemIDplus
(R)-5-isopropyl-2-methyl-2-cyclohexen-1-one ChemIDplus
Registry Number Type Source
2205068 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11380545 PubMed citation Europe PMC
Last Modified
12 March 2019