BioLiP

PDB

BioLiP

PDB CCD ID:

5K0

Number of entries in BioLiP:

Chemical formula:

C20 H22 O2

InChI:

InChI=1S/C20H22O2/c1-14-2-4-15(5-3-14)20(16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-14,21-22H,2-5H2,1H3

InChIKey:

CETUWWHQYHVEMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1
ACDLabs 12.01	Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC2)C)cc3
CACTVS 3.385	C[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3

Name:

4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol

ChEMBL:

CHEMBL205939

ZINC:

ZINC000013685641

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).