CHEBI:59623 - (5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide
ChEBI ID CHEBI:59623
ChEBI ASCII Name (5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide
Definition A peroxol (hydroperoxide) derived from (R)-limonene.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H18O2
Net Charge 0
Average Mass 170.24870
Monoisotopic Mass 170.13068
InChI InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)10(6-9)12-11/h8-11H,1,4-6H2,2-3H3/t8?,9-,10?/m1/s1
InChIKey LCPSGOHUUMKVEZ-HWOCKDDLSA-N
SMILES CC1CC[C@H](CC1OO)C(C)=C
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has parent hydride (4R)-limonene (CHEBI:15382)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has role allergen (CHEBI:50904)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) has role hapten (CHEBI:59174)
(5R)-5-isopropenyl-2-methylcyclohexane 1-hydroperoxide (CHEBI:59623) is a peroxol (CHEBI:35924)
IUPAC Name
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexane-1-peroxol
Synonyms Sources
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexyl hydroperoxide IUPAC
(5R)-5-isopropenyl-2-methylcyclohexane-1-hydroperoxide ChEBI
Registry Number Type Source
21053497 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20163165 PubMed citation Europe PMC
Last Modified
17 March 2017