Secondary metabolite:(E)-2-epi-beta-caryophyllene



EOCID003378
Summary

sCentInDB Chemical identifier: EOCID003378

Chemical name: (E)-2-epi-beta-caryophyllene

Molecular formula: C15H24

SMILES: C/C/1=CCCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C

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-QWAJQTJBSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Prenol lipids

Subclass: Sesquiterpenoids

Synonymous chemical name(s):
9-epi-β-caryophyllene, 9-epi-caryophyllene, 9-epi-e-caryophyllene, 9-epi-(e)-caryophyllene, caryophyllene <9-epi-(e)->, 9 epi e-caryophyllene

External chemical identifier(s):
CID:6429274, CHEBI:68667, CHEMSPIDER:4934651, ZINC000049538667

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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