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CHEBI:90014 - isolimonene

ChEBI IDCHEBI:90014
ChEBI Nameisolimonene
Stars
DefinitionA 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.
Last Modified10 May 2022
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESC=C(C)C1C=CC(C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9-10H,1,5,7H2,2-3H3
InChIKeyTWCNAXRPQBLSNO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
Schisandra chinensis (ncbitaxon:50507) - DOI (10.1002/jssc.200800341)
Citrus medica (ncbitaxon:171251) - PubMed (29594287)
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
3-methyl-6-(prop-1-en-2-yl)cyclohex-1-eneIUPAC
2,8-p-menthadieneNIST Chemistry WebBook
3-methyl-6-prop-1-en-2-ylcyclohexeneChEBI
iso-limoneneChEBI
6-methyl-3-(1-methylethenyl)cyclohexeneChEBI
p-mentha-2,8(10)-dieneChEBI
Manual XrefsDatabases
HMDB0061793HMDB
454695ChemSpider
Registry NumbersSources
CAS:499-99-0ChEBI
Citations