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SummaryGeometryRelated PDB entries

A1ERT

Summary
Name:7-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-g]chromen-6-one
Formula:C28 H25 N O6
Formal charge:0
Formula weight:471.501 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-5-(pyridin-4-ylmethoxy)pyrano[3,2-g]chromen-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H25NO6/c1-28(2)12-9-20-21(35-28)15-22-23(26(20)33-16-17-10-13-29-14-11-17)24(30)27(32-4)25(34-22)18-5-7-19(31-3)8-6-18/h5-15H,16H2,1-4H3
InChIKeyInChI1.06QBDSTHQLYXBCDP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)C2=C(OC)C(=O)c3c(O2)cc4OC(C)(C)C=Cc4c3OCc5ccncc5
SMILESCACTVS3.385COc1ccc(cc1)C2=C(OC)C(=O)c3c(O2)cc4OC(C)(C)C=Cc4c3OCc5ccncc5
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1(C=Cc2c(cc3c(c2OCc4ccncc4)C(=O)C(=C(O3)c5ccc(cc5)OC)OC)O1)C
SMILESOpenEye OEToolkits2.0.7CC1(C=Cc2c(cc3c(c2OCc4ccncc4)C(=O)C(=C(O3)c5ccc(cc5)OC)OC)O1)C

253795

PDB entries from 2026-05-20

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