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A1D6B

Summary
Name:3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione
Synonyms:BMS986187
Formula:C31 H34 O4
Formal charge:0
Formula weight:470.599 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3
InChIKeyInChI1.06UEKIYVKPQNKSDI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5
SMILESCACTVS3.385Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(C)(C)CC4=O)OC5=C3C(=O)CC(C)(C)C5
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1COc2ccc(cc2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C

247536

PDB entries from 2026-01-14

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