Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1JDD

Summary
Name:4-[2-(4-oxidanyl-3-phenyl-phenyl)propan-2-yl]-2-phenyl-phenol
Synonyms:BKTRENAPTCBBFA-UHFFFAOYSA-N
Formula:C27 H24 O2
Formal charge:0
Formula weight:380.478 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[2-(4-oxidanyl-3-phenyl-phenyl)propan-2-yl]-2-phenyl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C27H24O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h3-18,28-29H,1-2H3
InChIKeyInChI1.06BKTRENAPTCBBFA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(c1ccc(O)c(c1)c2ccccc2)c3ccc(O)c(c3)c4ccccc4
SMILESCACTVS3.385CC(C)(c1ccc(O)c(c1)c2ccccc2)c3ccc(O)c(c3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(c1ccc(c(c1)c2ccccc2)O)c3ccc(c(c3)c4ccccc4)O
SMILESOpenEye OEToolkits2.0.7CC(C)(c1ccc(c(c1)c2ccccc2)O)c3ccc(c(c3)c4ccccc4)O

250835

PDB entries from 2026-03-18

PDB statisticsPDBj update infoContact PDBjnumon