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W4F

Summary
Name:2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Synonyms:Erianin
Formula:C18 H22 O5
Formal charge:0
Formula weight:318.364 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKeyInChI1.06UXDFUVFNIAJEGM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
SMILESCACTVS3.385COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1O)CCc2cc(c(c(c2)OC)OC)OC
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1O)CCc2cc(c(c(c2)OC)OC)OC

222926

PDB entries from 2024-07-24

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