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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:88840 - isoterpinolene
Main
ChEBI Ontology
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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.
Supplier Information
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Molfile
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Molfile
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/h4,6,9H,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.
View more via ChEBI Ontology
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
Manual Xrefs
Databases
92519
ChemSpider
C00010875
KNApSAcK
FDB003863
FooDB
HMDB0061938
HMDB
View more database links
Registry Numbers
Types
Sources
586-63-0
CAS Registry Number
ChemIDplus
586-63-0
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
11371010
PubMed citation
Europe PMC
11397441
PubMed citation
Europe PMC
12737403
PubMed citation
Europe PMC
15739473
PubMed citation
Europe PMC
20496237
PubMed citation
Europe PMC
20799936
PubMed citation
Europe PMC
20877145
PubMed citation
Europe PMC
21430961
PubMed citation
Europe PMC
22989376
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
25319361
PubMed citation
Europe PMC
30186986
PubMed citation
Europe PMC
31497509
PubMed citation
Europe PMC
33681616
PubMed citation
Europe PMC
Last Modified
10 May 2022