BioLiP

PDB

BioLiP

PDB CCD ID:

SRR

Number of entries in BioLiP:

Chemical formula:

C24 H24 O3

InChI:

InChI=1S/C24H24O3/c1-3-23(17-9-15-22(16-10-17)27-4-2)24(18-5-11-20(25)12-6-18)19-7-13-21(26)14-8-19/h5-16,25-26H,3-4H2,1-2H3

InChIKey:

WLSRFYXWWMCGQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCOc1ccc(cc1)C(CC)=C(c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01	O(c1ccc(cc1)/C(=C(/c2ccc(O)cc2)c3ccc(O)cc3)CC)CC
OpenEye OEToolkits 1.7.0	CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC

Name:

4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol

ZINC:

ZINC000095921173

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).