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

ChEBI IDCHEBI:9955
ChEBI Name(R)-(+)-verbenone
Stars
ASCII Name(R)-(+)-verbenone
DefinitionA 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.
Last Modified23 April 2014
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
InChIInChI=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
InChIKeyDCSCXTJOXBUFGB-SFYZADRCSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
VerbenoneKEGG COMPOUND
(1R-cis)-4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-oneChemIDplus
(+)-verbenoneChEBI
d-verbenoneChemIDplus
(1R,5R)-pin-2-en-4-oneChEBI
(1R,5R)-(+)-2-pinen-4-oneChEBI
Manual XrefsDatabases
C09913KEGG COMPOUND
VerbenoneWikipedia
US2911442Patent
Registry NumbersSources
Reaxys:2042766Reaxys
CAS:18309-32-5KEGG COMPOUND
CAS:18309-32-5ChemIDplus
CAS:18309-32-5NIST Chemistry WebBook
Citations