Secondary metabolite:beta-Asarone



EOCID000117
Summary

sCentInDB Chemical identifier: EOCID000117

Chemical name: beta-Asarone

Molecular formula: C12H16O3

SMILES: C/C=Cc1cc(OC)c(cc1OC)OC

InChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-

InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Phenol ethers

Subclass: Anisoles


Synonymous chemical name(s):
β-asarone, beta-asarone, z-isoelemicin, (z)-asarone (=β-asarone), (z)-asarone, cis-asarone, z-β-asarone, cis isoelemicin, e-β-asarone


External chemical identifier(s):
CID:5281758, CHEMBL477752, CHEBI:10353, CHEMSPIDER:4445072, ZINC000013424754, FDASRS:IGA3MH6IUW, MOLPORT:003-925-788, SURECHEMBL:SCHEMBL528747


Spectrabase ID:
I0Sq9h0E7dn


Chemical structure download

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