CHEBI:90014 - isolimonene

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ChEBI Name isolimonene
ChEBI ID CHEBI:90014
Definition A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 3 and a prop-1-en-2-yl group at position 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H16
Net Charge 0
Average Mass 136.238
Monoisotopic Mass 136.12520
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3
InChIKey TWCNAXRPQBLSNO-UHFFFAOYSA-N
SMILES CC1CCC(C=C1)C(C)=C
Metabolite of Species Details
Citrus medica (NCBI:txid171251) See: PubMed
Schisandra chinensis (NCBI:txid50507) See: DOI
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isolimonene (CHEBI:90014) has role human metabolite (CHEBI:77746)
isolimonene (CHEBI:90014) has role plant metabolite (CHEBI:76924)
isolimonene (CHEBI:90014) is a p-menthadiene (CHEBI:50073)
isolimonene (CHEBI:90014) is a cycloalkene (CHEBI:33643)
IUPAC Name
3-methyl-6-(prop-1-en-2-yl)cyclohexene
Synonyms Sources
2,8-p-menthadiene NIST Chemistry WebBook
3-methyl-6-(prop-1-en-2-yl)cyclohex-1-ene IUPAC
3-methyl-6-prop-1-en-2-ylcyclohexene ChEBI
6-methyl-3-(1-methylethenyl)cyclohexene ChEBI
iso-limonene ChEBI
p-mentha-2,8(10)-diene ChEBI
Manual Xrefs Databases
454695 ChemSpider
HMDB0061793 HMDB
View more database links
Registry Number Type Source
499-99-0 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
19329138 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
29594287 PubMed citation Europe PMC
Last Modified
10 May 2022