isoterpinolene (CHEBI:88840)

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ChEBI Name	isoterpinolene

ChEBI ID	CHEBI:88840

Definition	A p-menthadiene with double bonds at positions 2 and 4(8).

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C10H16

Net Charge

Average Mass

136.238

Monoisotopic Mass

136.12520

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3

InChIKey

CIPXOBMYVWRNLL-UHFFFAOYSA-N

SMILES

CC1CCC(C=C1)=C(C)C

Metabolite of Species	Details
Annona muricata (NCBI:txid13337)	See: PubMed
Schinus terebinthifolia (NCBI:txid169191)	See: PubMed
Parasenecio hastatus var. orientalis (NCBI:txid2837480)	Species also known as Cacalia hastata var. orientalis. See: PubMed
Elwendia persica (NCBI:txid377494)	Found in seed (PO:0009010). Species also known as Bunium persicum. See: PubMed
Crithmum maritimum (NCBI:txid40916)	See: PubMed
Salvadora persica (NCBI:txid4326)	Found in leaf (BTO:0000713). See: PubMed
Vitex agnus-castus (NCBI:txid54477)	Found in leaf (BTO:0000713). See: PubMed
Anethum foeniculum subsp. piperitum (NCBI:txid732956)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	isoterpinolene (CHEBI:88840) has role human metabolite (CHEBI:77746) isoterpinolene (CHEBI:88840) has role plant metabolite (CHEBI:76924) isoterpinolene (CHEBI:88840) is a p-menthadiene (CHEBI:50073) isoterpinolene (CHEBI:88840) is a cycloalkene (CHEBI:33643)

IUPAC Name

3-methyl-6-(propan-2-ylidene)cyclohexene

Synonyms	Sources
2,4(8)-p-menthadiene	ChemIDplus
3-isopropylidene-6-methyl-cyclohexene	NIST Chemistry WebBook
3-methyl-6-(1-methylethylidene)cyclohexene	ChemIDplus
3-methyl-6-(propan-2-ylidene)cyclohex-1-ene	IUPAC
p-mentha-2,4(8)-diene	ChemIDplus
para-mentha-2,4(8)-diene	NIST Chemistry WebBook

Last Modified

10 May 2022