Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:(-)-beta-caryophyllene
go back to main search page
Accession:CHEBI:10357 term browser browse the term
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.
Synonyms:exact_synonym: (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
 related_synonym: (E)-beta-caryophyllene;   Formula=C15H24;   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;   SMILES=[H][C@]12CC(C)(C)[C@]1([H])CC\\C(C)=C\\CCC2=C;   caryophyllene;   trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene;   trans-caryophyllene
 xref: CAS:87-44-5;   KEGG:C09629;   KNApSAcK:C00003110;   MetaCyc:CPD-8230;   PMID:12409018;   PMID:18296628;   PMID:18574142;   PMID:20015227;   PMID:20398787;   PMID:20433083;   PMID:21366052;   PMID:21425686;   PMID:21941920;   PMID:27871898;   PMID:30281175;   Reaxys:2044564;   Wikipedia:Caryophyllene
 cyclic_relationship: is_enantiomer_of CHEBI:63190


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      biological role 19726
        insect attractant 47
          (-)-beta-caryophyllene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                carbocyclic compound 18300
                                  carbopolycyclic compound 17049
                                    carbobicyclic compound 5818
                                      ortho-fused bicyclic hydrocarbon 2415
                                        beta-caryophyllene 0
                                          (-)-beta-caryophyllene 0
paths to the root