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CHEBI:9955 - (R)-(+)-verbenone

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ChEBI Name (R)-(+)-verbenone
ChEBI ID CHEBI:9955
ChEBI ASCII Name (R)-(+)-verbenone
Definition A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have R configuration. It is a component of Spanish verbena oil, from Verbena triphylla.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H14O
Net Charge 0
Average Mass 150.21760
Monoisotopic Mass 150.104
InChI InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
InChIKey DCSCXTJOXBUFGB-SFYZADRCSA-N
SMILES CC1=CC(=O)[C@@H]2C[C@H]1C2(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (R)-(+)-verbenone (CHEBI:9955) has role plant metabolite (CHEBI:76924)
(R)-(+)-verbenone (CHEBI:9955) is a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one (CHEBI:78315)
(R)-(+)-verbenone (CHEBI:9955) is a terpenoid (CHEBI:26873)
(R)-(+)-verbenone (CHEBI:9955) is enantiomer of (S)-(−)-verbenone (CHEBI:78316)
Incoming (S)-(−)-verbenone (CHEBI:78316) is enantiomer of (R)-(+)-verbenone (CHEBI:9955)
IUPAC Name
(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Synonyms Sources
(+)-verbenone ChEBI
(1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one NIST Chemistry WebBook
(1R,5R)-(+)-2-pinen-4-one ChEBI
(1R,5R)-(+)-pin-2-en-4-one ChEBI
(1R,5R)-2-pinen-4-one ChEBI
(1R,5R)-pin-2-en-4-one ChEBI
(1R-cis)-4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-one ChemIDplus
d-verbenone ChemIDplus
Verbenone KEGG COMPOUND
Database Links Databases
C09913 KEGG COMPOUND
US2911442 Patent
Verbenone Wikipedia
View more database links
Registry Numbers Types Sources
18309-32-5 CAS Registry Number KEGG COMPOUND
18309-32-5 CAS Registry Number NIST Chemistry WebBook
18309-32-5 CAS Registry Number ChemIDplus
2042766 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24339334 PubMed citation Europe PMC
Last Modified
23 April 2014