BioLiP

PDB

BioLiP

PDB CCD ID:

A1JDD

Number of entries in BioLiP:

Chemical formula:

C27 H24 O2

InChI:

InChI=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

InChIKey:

BKTRENAPTCBBFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(c1ccc(c(c1)c2ccccc2)O)c3ccc(c(c3)c4ccccc4)O
CACTVS 3.385	CC(C)(c1ccc(O)c(c1)c2ccccc2)c3ccc(O)c(c3)c4ccccc4

Name:

4-[2-(4-oxidanyl-3-phenyl-phenyl)propan-2-yl]-2-phenyl-phenol;
BKTRENAPTCBBFA-UHFFFAOYSA-N

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).