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CHEBI:138047 - β-thujene
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ChEBI Name
β-thujene
ChEBI ID
CHEBI:138047
ChEBI ASCII Name
beta-thujene
Definition
A thujene that has a bicyclo[3.1.0]hex-2-ene skeleton which is substituted at positions 1 and 4 by isopropyl and methyl groups, respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C10H16
Net Charge
0
Average Mass
136.234
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7-9H,6H2,1-3H3
InChIKey
GJYKUZUTZNTBEC-UHFFFAOYSA-N
SMILES
C=1C2(CC2C(C1)C)C(C)C
Metabolite of Species
Details
Pleodendron costaricense
(NCBI:txid549616)
Found in bark
(BTO:0001301)
. See:
PubMed
Pleodendron costaricense
(NCBI:txid549616)
Found in leaf
(BTO:0000713)
. See:
PubMed
Pinus densiflora
(NCBI:txid77912)
Found in amniotic fluid
(BTO:0000068)
. Isolated from the essential oil of the needles See:
PubMed
Curcuma
(NCBI:txid99568)
Found in tuber
(BTO:0001400)
. See: Journal of Jiangxi Normal University(Natural Science), 2000, 24, 274-277
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-thujene (
CHEBI:138047
)
has role
plant metabolite (
CHEBI:76924
)
β-thujene (
CHEBI:138047
)
is a
polycyclic olefin (
CHEBI:35714
)
β-thujene (
CHEBI:138047
)
is a
thujene (
CHEBI:50030
)
IUPAC Name
4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-2-ene
Synonym
Source
β-thujene
UniProt
Manual Xrefs
Databases
C00041376
KNApSAcK
CPD-20224
MetaCyc
View more database links
Registry Numbers
Types
Sources
2498410
Reaxys Registry Number
Reaxys
28634-89-1
CAS Registry Number
KNApSAcK
Citations
Types
Sources
10775384
PubMed citation
Europe PMC
15187434
PubMed citation
Europe PMC
16872133
PubMed citation
Europe PMC
345089
Chinese Abstracts citation
Europe PMC
Last Modified
09 September 2021