BioLiP

PDB

BioLiP

PDB CCD ID:

A1LWH

Number of entries in BioLiP:

Chemical formula:

C17 H18 O2

InChI:

InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+

InChIKey:

ZISJNXNHJRQYJO-CMDGGOBGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O
CACTVS 3.385	CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
OpenEye OEToolkits 2.0.7	CC(C)c1c(cc(cc1O)C=Cc2ccccc2)O
CACTVS 3.385	CC(C)c1c(O)cc(C=Cc2ccccc2)cc1O

Name:

5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol

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).