BioLiP

PDB

BioLiP

PDB CCD ID:

5C8

Number of entries in BioLiP:

Chemical formula:

C25 H20 O2

InChI:

InChI=1S/C25H20O2/c1-17(21-7-6-18-4-2-3-5-22(18)16-21)25(19-8-12-23(26)13-9-19)20-10-14-24(27)15-11-20/h2-16,26-27H,1H3

InChIKey:

ZLQRWQFKXZMTRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C/C(c1cc2c(cc1)cccc2)=C(/c3ccc(cc3)O)c4ccc(O)cc4
CACTVS 3.385	CC(c1ccc2ccccc2c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
OpenEye OEToolkits 1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3

Name:

4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol

ZINC:

ZINC000584905062

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).