BioLiP

PDB

BioLiP

PDB CCD ID:

7FL

Number of entries in BioLiP:

Chemical formula:

C20 H22 O2

InChI:

InChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2

InChIKey:

XVTAYJKFHUKWSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O
CACTVS 3.385	Oc1ccc(cc1)C(=C2CCCCCC2)c3ccc(O)cc3
ACDLabs 12.01	Oc1ccc(cc1)\C(=C2\CCCCCC2)c3ccc(O)cc3

Name:

4,4'-(cycloheptylidenemethylene)diphenol

ChEMBL:

CHEMBL154947

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).