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BER

Summary
Name:BERBERINE
Formula:C20 H18 N O4
Formal charge:1
Formula weight:336.361 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.049,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5
SMILES_CANONICALCACTVS3.341COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
SMILESCACTVS3.341COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5
SMILESOpenEye OEToolkits1.5.0COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5
InChIInChI1.03InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChIKeyInChI1.03YBHILYKTIRIUTE-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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