CHEBI:5993 - Isocaryophyllene

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Isocaryophyllene ChEBI ID CHEBI:5993 Stars This entity has been manually annotated by a third party. Supplier Information ChemicalBook:CB7730612, ZINC000030726969 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C15H24 C15H24 Net Charge 0 Average Mass 204.352 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-/m1/s1 InChIKey NPNUFJAVOOONJE-FLFDDASRSA-N SMILES C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing Isocaryophyllene (CHEBI:5993) is a sesquiterpenoid (CHEBI:26658) Synonyms Sources (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene HMDB beta-caryophyllene HMDB Caryophyllene HMDB g-Caryophyllene HMDB Gamma-Caryophyllene HMDB gamma-Caryophyllene HMDB Isocaryophyllene KEGG COMPOUND Manual Xrefs Databases C00012474 KNApSAcK C09691 KEGG COMPOUND HMDB0061779 HMDB View more database links Registry Number Type Source 118-65-0 CAS Registry Number KEGG COMPOUND Citations Last Modified 23 October 2015