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

ChEBI IDCHEBI:61551
ChEBI Name(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
Stars
ASCII Name(5R)-5-isopropyl-2-methyl-2-cyclohexen-1-one
DefinitionA dihydrocarvone compound having the exocyclic isopropenyl double bond reduced and (R)-configuration.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC1=CC[C@@H](C(C)C)CC1=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyWPGPCDVQHXOMQP-SECBINFHSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
(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  Source
(-)-(5R)-1-isopropyl-2-methyl-2-cyclohexen-1-oneChemIDplus
(R)-(-)-carvotanacetoneChemIDplus
(R)-5-isopropyl-2-methyl-2-cyclohexen-1-oneChemIDplus
Registry NumbersSources
Reaxys:2205068Reaxys
Citations