Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EV1

Summary
Name:1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE
Synonyms:Papaverine
Formula:C20 H21 N O4
Formal charge:0
Formula weight:339.385 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
OpenEye OEToolkits1.6.11-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1OC)Cc3nccc2cc(OC)c(OC)cc23)C
SMILES_CANONICALCACTVS3.352COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
SMILESCACTVS3.352COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
SMILES_CANONICALOpenEye OEToolkits1.6.1COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC
SMILESOpenEye OEToolkits1.6.1COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC
InChIInChI1.03InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKeyInChI1.03XQYZDYMELSJDRZ-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon