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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,4R)-1-hydroxylimonen-2-one
ChEBI ID CHEBI:38249
ChEBI ASCII Name (1S,4R)-1-hydroxylimonen-2-one
Definition An optically active form of 1-hydroxylimonen-2-one having (1S,4R)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18517, CHEBI:29456
Supplier Information
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Formulae C10H16O2
C10H16O2
Net Charge 0
Average Mass 168.23280
Monoisotopic Mass 168.11503
InChI 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+/m1/s1
InChIKey JEQLRDRDFLXSHY-SCZZXKLOSA-N
SMILES CC(=C)[C@@H]1CC[C@](C)(O)C(=O)C1
ChEBI Ontology
Outgoing (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 (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
(1S,4R)-1-hydroxy-p-menth-8-en-2-one
(2S,5R)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexanone
Synonyms Sources
(1S,4R)-1-Hydroxy-2-oxolimonene KEGG COMPOUND
(1S,4R)-1-hydroxylimonen-2-one UniProt
(1S,4R)-1-Hydroxymenth-8-en-2-one KEGG COMPOUND
(2S,5R)-2-hydroxy-5-isopropenyl-2-methylcyclohexanone IUPAC
Manual Xrefs Databases
c0674 UM-BBD
C11937 KEGG COMPOUND
LMPR0102090042 LIPID MAPS
View more database links
Registry Numbers Types Sources
19930775 Reaxys Registry Number Reaxys
24047-73-2 CAS Registry Number KEGG COMPOUND
24047-74-3 CAS Registry Number KEGG COMPOUND
24047-74-3 CAS Registry Number UM-BBD
Last Modified
05 September 2017