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
Supplier Information
Download Molfile XML SDF
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 Waiting for 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