CHEBI:50246 - 1-hydroxylimonen-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hydroxylimonen-2-one
ChEBI ID CHEBI:50246
Definition A limonene monoterpenoid that consists of cyclohexanone bearing hydroxy and methyl substituents at position 2 as well as an isopropenyl substituent at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Secondary ChEBI IDs CHEBI:64233
Supplier Information
Download Molfile XML SDF
Formula C10H16O2
Net Charge 0
Average Mass 168.23284
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
InChIKey JEQLRDRDFLXSHY-UHFFFAOYSA-N
SMILES CC(=C)C1CCC(C)(O)C(=O)C1
ChEBI Ontology
Outgoing 1-hydroxylimonen-2-one (CHEBI:50246) is a limonene monoterpenoid (CHEBI:25040)
1-hydroxylimonen-2-one (CHEBI:50246) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming (1R,4S)-1-hydroxylimonen-2-one (CHEBI:50245) is a 1-hydroxylimonen-2-one (CHEBI:50246)
(1S,4R)-1-hydroxylimonen-2-one (CHEBI:38249) is a 1-hydroxylimonen-2-one (CHEBI:50246)
IUPAC Names
1-hydroxy-p-menth-8-en-2-one
2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexanone
Synonyms Sources
1-hydroxylimonen-2-one UniProt
1-Hydroxymenth-8-en-2-one KEGG COMPOUND
2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone KEGG COMPOUND
2-hydroxy-5-isopropenyl-2-methylcyclohexanone ChEBI
Manual Xrefs Databases
1-Hydroxy-2-oxolimonenes MetaCyc
C18019 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
6288974 Reaxys Registry Number Reaxys
6288974 Beilstein Registry Number Beilstein
Last Modified
06 February 2018