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CHEBI:50246 - 1-hydroxylimonen-2-one

ChEBI IDCHEBI:50246
ChEBI Name1-hydroxylimonen-2-one
Stars
DefinitionA limonene monoterpenoid that consists of cyclohexanone bearing hydroxy and methyl substituents at position 2 as well as an isopropenyl substituent at position 5.
Secondary ChEBI IDCHEBI:64233
Last Modified6 February 2018
SubmitterKristian Axelsen, Marcus Ennis
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC=C(C)C1CCC(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
InChIKeyJEQLRDRDFLXSHY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
2-hydroxy-5-isopropenyl-2-methylcyclohexanoneChEBI
1-Hydroxymenth-8-en-2-oneKEGG COMPOUND
2-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanoneKEGG COMPOUND
UniProt Name  Source
1-hydroxylimonen-2-oneUniProt
Manual XrefsDatabases
C18019KEGG COMPOUND
1-Hydroxy-2-oxolimonenesMetaCyc
Registry NumbersSources
Reaxys:6288974Reaxys