BioLiP

PDB

BioLiP

PDB CCD ID:

A1BUG

Number of entries in BioLiP:

Chemical formula:

C20 H18 O2

InChI:

InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3

InChIKey:

VOWWYDCFAISREI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(c1ccccc1)(c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 14.52	CC(c1ccc(O)cc1)(c1ccccc1)c1ccc(O)cc1
OpenEye OEToolkits 3.1.0.0	CC(c1ccccc1)(c2ccc(cc2)O)c3ccc(cc3)O

Name:

4,4'-(1-phenylethane-1,1-diyl)diphenol

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).