CHEBI:165 - (1S,4R)-fenchone

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ChEBI Name (1S,4R)-fenchone
ChEBI ASCII Name (1S,4R)-fenchone
Definition A fenchone that has 1S,4R stereochemistry. A colourless, oily liquid found in fennel oil, it is used in perfumery and as flavour in foods.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Secondary ChEBI IDs CHEBI:63901
Supplier Information
Download Molfile XML SDF
Formula C10H16O
Net Charge 0
Average Mass 152.23340
Monoisotopic Mass 152.12012
InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
SMILES CC1(C)[C@@H]2CC[C@@](C)(C2)C1=O
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 fenchone )
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ChEBI Ontology
Outgoing (1S,4R)-fenchone (CHEBI:165) is a fenchone (CHEBI:4999)
(1S,4R)-fenchone (CHEBI:165) is enantiomer of (1R,4S)-fenchone (CHEBI:36612)
Incoming (1R,4S)-fenchone (CHEBI:36612) is enantiomer of (1S,4R)-fenchone (CHEBI:165)
Synonyms Sources
(+)-2-fenchanone ChEBI
(+)-fenchan-2-one ChEBI
(+)-fenchone ChemIDplus
(1S)-(+)-fenchone ChEBI
(1S)-fenchone ChEBI
(1S,4R)-(+)-2-fenchanone ChEBI
(1S,4R)-(+)-fenchan-2-one ChEBI
(1S,4R)-(+)-fenchone ChEBI
(1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one IUPAC
(1S,4R)-2-fenchanone ChEBI
(1S,4R)-fenchan-2-one ChEBI
(1S,4R)-fenchone UniProt
d-fenchone ChemIDplus
Manual Xref Database
View more database links
Registry Numbers Types Sources
2206555 Reaxys Registry Number Reaxys
4695-62-9 CAS Registry Number ChemIDplus
Last Modified
10 March 2012
General Comment
2012-02-15 Needed for the new IUBMB reaction: (−)-endo-fenchol + NAD(P)+ = (+)-fenchone + NAD(P)H + H+. Published in: Croteau, R. and Felton, N.M. Substrate specificity of monoterpenol dehydrogenases from Foeniculum vulgare and Tanacetum vulgare. Phytochemistry 19 (1980) 1343-1347.