Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:34:20 UTC
Update Date2022-08-12 20:09:04 UTC
Metabolite IDMMDBc0054772
Metabolite Identification
Common Name(1R,4S)-1-hydroxylimonen-2-one
Description(1R,4S)-1-hydroxy-2-oxolimonene, also known as (1R,4S)-1-hydroxymenth-8-en-2-one, belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Based on a literature review very few articles have been published on (1R,4S)-1-hydroxy-2-oxolimonene.
Structure
Synonyms
ValueSource
(1R,4S)-1-Hydroxymenth-8-en-2-oneChEBI
(2R,5S)-2-Hydroxy-5-isopropenyl-2-methylcyclohexanoneChEBI
Molecular FormulaC10H16O2
Average Mass168.236
Monoisotopic Mass168.115029755
IUPAC Name(2R,5S)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-one
Traditional Name(1R,4S)-1-hydroxylimonen-2-one
CAS Registry NumberNot Available
SMILES
[H][C@@]1(CC[C@@](C)(O)C(=O)C1)C(C)=C
InChI Identifier
InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m0/s1
InChI KeyJEQLRDRDFLXSHY-WCBMZHEXSA-N