BioLiP

PDB

BioLiP

PDB CCD ID:

FNJ

Number of entries in BioLiP:

Chemical formula:

C22 H22 O2

InChI:

InChI=1S/C22H22O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,21-24H,2H2,1H3/t21-,22+/m0/s1

InChIKey:

KTDYSTOLKGILFR-FCHUYYIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC(c1ccc(cc1)O)C(c2ccccc2)c3ccc(cc3)O
OpenEye OEToolkits 2.0.6	CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O
CACTVS 3.385	CC[C@H]([C@H](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3
CACTVS 3.385	CC[CH]([CH](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01	c1c(ccc(c1)O)C(CC)C(c2ccc(O)cc2)c3ccccc3

Name:

4,4'-[(1R,2R)-1-phenylbutane-1,2-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).