BioLiP

PDB

BioLiP

PDB CCD ID:

Q97

Number of entries in BioLiP:

Chemical formula:

C24 H24 O3

InChI:

InChI=1S/C24H24O3/c1-3-23(17-5-11-20(25)12-6-17)24(18-7-13-21(26)14-8-18)19-9-15-22(16-10-19)27-4-2/h5-16,25-26H,3-4H2,1-2H3/b24-23-

InChIKey:

ARCUKWDDBMOVTN-VHXPQNKSSA-N

SMILES:

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

Name:

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

ChEMBL:

CHEMBL1091658

ZINC:

ZINC000049109511

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).