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Summary
Name:5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
Synonyms:Biochanin A
Formula:C16 H12 O5
Formal charge:0
Formula weight:284.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
OpenEye OEToolkits1.5.05,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O
SMILES_CANONICALCACTVS3.341COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
SMILESCACTVS3.341COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O
InChIInChI1.03InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKeyInChI1.03WUADCCWRTIWANL-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

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