Secondary metabolite:Elemicin



EOCID003226
Summary

sCentInDB Chemical identifier: EOCID003226

Chemical name: Elemicin

Molecular formula: C12H16O3

SMILES: C=CCc1cc(OC)c(c(c1)OC)OC

InChI: InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3

InChIKey: BPLQKQKXWHCZSS-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Phenol ethers

Subclass: Anisoles


Synonymous chemical name(s):
elemicin, elemicine, elimicin, elemicin or asarone


External chemical identifier(s):
CID:10248, CHEMBL458690, CHEMSPIDER:9830, ZINC000000899845, FDASRS:HSZ191AKAN, MOLPORT:003-824-417, SURECHEMBL:SCHEMBL68542


Spectrabase ID:
18yIi7OgpvR


Chemical structure download

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