BioLiP

PDB

BioLiP

PDB CCD ID:

5JY

Number of entries in BioLiP:

Chemical formula:

C21 H24 O2

InChI:

InChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3

InChIKey:

LEZGCOYFXQAYPT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
OpenEye OEToolkits 1.9.2	CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1
ACDLabs 12.01	Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3

Name:

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

ChEMBL:

CHEMBL204739

ZINC:

ZINC000013685644

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).