CHEBI:63902 - (+)-thujan-3-ol

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ChEBI Name (+)-thujan-3-ol
ChEBI ID CHEBI:63902
Definition A thujane monoterpenoid in which which a (1R,4S,5S)-thujane skeleton is substituted at C-3 with a hydroxy group, with the new asymmetric centre at C-3 having R-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C10H18O
Net Charge 0
Average Mass 154.24930
Monoisotopic Mass 154.13577
InChI InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m0/s1
InChIKey DZVXRFMREAADPP-AXTSPUMRSA-N
SMILES [H][C@@]12C[C@@]1(C[C@@H](O)[C@H]2C)C(C)C
ChEBI Ontology
Outgoing (+)-thujan-3-ol (CHEBI:63902) is a secondary alcohol (CHEBI:35681)
(+)-thujan-3-ol (CHEBI:63902) is a thujane monoterpenoid (CHEBI:50041)
IUPAC Name
(1R,3R,4S,5S)-4-methyl-1(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
Synonyms Sources
(+)-thujan-3-ol UniProt
(+)-Thujol ChemIDplus
(1R,3R,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol IUPAC
(1R,3R,4S,5S)-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-ol ChemIDplus
Registry Number Type Source
3284-85-3 CAS Registry Number ChemIDplus
Last Modified
15 February 2012
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.