CHEBI:63190 - (+)-β-caryophyllene

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ChEBI Name (+)-β-caryophyllene
ChEBI ID CHEBI:63190
ChEBI ASCII Name (+)-beta-caryophyllene
Definition A β-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (−)-β-caryophyllene, which occurs much more widely than the (+)-form.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
InChIKey NPNUFJAVOOONJE-IOMPXFEGSA-N
SMILES [H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C\CCC2=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-β-caryophyllene (CHEBI:63190) has role metabolite (CHEBI:25212)
(+)-β-caryophyllene (CHEBI:63190) is a β-caryophyllene (CHEBI:63191)
(+)-β-caryophyllene (CHEBI:63190) is enantiomer of (−)-β-caryophyllene (CHEBI:10357)
Incoming (−)-β-caryophyllene (CHEBI:10357) is enantiomer of (+)-β-caryophyllene (CHEBI:63190)
IUPAC Name
(1S,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Synonyms Sources
(+)-β-caryophyllene UniProt
(+)-caryophyllene ChEBI
trans-(1S,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene ChEBI
Registry Number Type Source
6767547 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21693706 PubMed citation Europe PMC
Last Modified
15 December 2011