CHEBI:50043 - (+)-α-thujone

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ChEBI Name (+)-α-thujone
ChEBI ID CHEBI:50043
ChEBI ASCII Name (+)-alpha-thujone
Definition The (1R,4S,5S)-stereoisomer of α-thujone.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Secondary ChEBI IDs CHEBI:63903
Supplier Information
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Formula C10H16O
Net Charge 0
Average Mass 152.23340
Monoisotopic Mass 152.120
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m0/s1
InChIKey USMNOWBWPHYOEA-OYNCUSHFSA-N
SMILES [H][C@@]12C[C@@]1(CC(=O)[C@H]2C)C(C)C
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.
(via thujone )
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ChEBI Ontology
Outgoing (+)-α-thujone (CHEBI:50043) is a α-thujone (CHEBI:50042)
(+)-α-thujone (CHEBI:50043) is enantiomer of (−)-α-thujone (CHEBI:9577)
Incoming (−)-α-thujone (CHEBI:9577) is enantiomer of (+)-α-thujone (CHEBI:50043)
IUPAC Names
(1R,4S,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
(1R,4S,5S)-thujan-3-one
Synonyms Sources
(+)-3-Thujone ChemIDplus
(+)-Isothujone ChemIDplus
(+)-thujan-3-one UniProt
(+)-Thujone ChemIDplus
(1R,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one IUPAC
(1S,4S,5R)-(+)-3-Thujanone ChemIDplus
d-Isothujone ChemIDplus
d-Thujone ChemIDplus
Registry Number Type Source
2500356 Beilstein Registry Number Beilstein
Last Modified
19 March 2014
General Comment
2012-02-15 Croteau, R. and Felton, N.M. Substrate specificity of monoterpenol dehydrogenases from Foeniculum vulgare and Tanacetum vulgare. Phytochemistry 19 (1980) 1343-1347.