loading...| Preferred Name |
(-)-beta-caryophyllene |
|
| Synonyms |
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene (E)-beta-caryophyllene trans-caryophyllene beta-Caryophyllene caryophyllene trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (-)-(E)-beta-caryophyllene Caryophyllene |
|
| Definitions |
A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_10357 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:20398787 KEGG:C09629 PMID:18574142 PMID:27871898 KNApSAcK:C00003110 PMID:18296628 PMID:21425686 Wikipedia:Caryophyllene PMID:12409018 Reaxys:2044564 CAS:87-44-5 PMID:30281175 PMID:20015227 MetaCyc:CPD-8230 PMID:21366052 PMID:20433083 PMID:21941920 |
|
| definition |
A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. |
|
| formula |
C15H24 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_48318 http://purl.obolibrary.org/obo/CHEBI_35475 |
|
| has_exact_synonym |
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(E)-beta-caryophyllene trans-caryophyllene beta-Caryophyllene caryophyllene trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (-)-(E)-beta-caryophyllene Caryophyllene |
|
| id |
CHEBI:10357 |
|
| in_subset | ||
| 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-/m1/s1 |
|
| inchikey |
NPNUFJAVOOONJE-GFUGXAQUSA-N |
|
| is enantiomer of | ||
| label |
(-)-beta-caryophyllene |
|
| mass |
204.35110 |
|
| monoisotopicmass |
204.18780 |
|
| notation |
CHEBI:10357 |
|
| prefLabel |
(-)-beta-caryophyllene |
|
| smiles |
[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C |
|
| treeView | ||
| subClassOf |