BioLiP

PDB

BioLiP

PDB CCD ID:

5C7

Number of entries in BioLiP:

Chemical formula:

C25 H26 O2

InChI:

InChI=1S/C25H26O2/c1-17(18-5-11-21(12-6-18)25(2,3)4)24(19-7-13-22(26)14-8-19)20-9-15-23(27)16-10-20/h5-16,26-27H,1-4H3

InChIKey:

CLHRGZJEUJPOLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(c1ccc(cc1)C(C)(C)C)=C(c2ccc(O)cc2)c3ccc(O)cc3
ACDLabs 12.01	C/C(c1ccc(cc1)C(C)(C)C)=C(/c2ccc(cc2)O)c3ccc(O)cc3
OpenEye OEToolkits 1.9.2	CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C

Name:

4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol

ZINC:

ZINC000584904769

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).