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3WL

Summary
Name:5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
Synonyms:Baicalein
Formula:C15 H10 O5
Formal charge:0
Formula weight:270.237 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
OpenEye OEToolkits1.9.25,6,7-tris(oxidanyl)-2-phenyl-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2
InChIInChI1.03InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
InChIKeyInChI1.03FXNFHKRTJBSTCS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3
SMILESCACTVS3.385Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2

217705

PDB entries from 2024-03-27

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