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CHEBI:38249 - (1S,4R)-1-hydroxylimonen-2-one

ChEBI IDCHEBI:38249
ChEBI Name(1S,4R)-1-hydroxylimonen-2-one
Stars
ASCII Name(1S,4R)-1-hydroxylimonen-2-one
DefinitionAn optically active form of 1-hydroxylimonen-2-one having (1S,4R)-configuration.
Secondary ChEBI IDsCHEBI:18517, CHEBI:29456
Last Modified5 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC=C(C)[C@@H]1CC[C@](C)(O)C(=O)C1
InChIInChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1
InChIKeyJEQLRDRDFLXSHY-SCZZXKLOSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249) is a 1-hydroxylimonen-2-one (CHEBI:50246)
(1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249) is enantiomer of (1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245)
Incoming Relation(s)
(4R,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138597) has functional parent (1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249)
(4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363) has functional parent (1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249)
(1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245) is enantiomer of (1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249)
IUPAC Names 
(2S,5R)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexanone
(1S,4R)-1-hydroxy-p-menth-8-en-2-one
Synonyms  Source
(1S,4R)-1-Hydroxy-2-oxolimoneneKEGG COMPOUND
(2S,5R)-2-hydroxy-5-isopropenyl-2-methylcyclohexanoneIUPAC
(1S,4R)-1-Hydroxymenth-8-en-2-oneKEGG COMPOUND
UniProt Name  Source
(1S,4R)-1-hydroxylimonen-2-oneUniProt
Manual XrefsDatabases
c0674UM-BBD
C11937KEGG COMPOUND
LMPR0102090042LIPID MAPS
Registry NumbersSources
Reaxys:19930775Reaxys
CAS:24047-74-3KEGG COMPOUND
CAS:24047-74-3UM-BBD
CAS:24047-73-2KEGG COMPOUND