BioLiP

PDB

BioLiP

PDB CCD ID:

XOS

Number of entries in BioLiP:

Chemical formula:

C15 H12 O3

InChI:

InChI=1S/C15H12O3/c16-14-8-6-11(7-9-14)4-5-12-2-1-3-13(10-12)15(17)18/h1-10,16H,(H,17,18)/b5-4+

InChIKey:

KNXROYFVTYZPCH-SNAWJCMRSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1c(C(O)=O)cc(cc1)[C@H]=[C@H]c2ccc(cc2)O
CACTVS 3.385	OC(=O)c1cccc(C=Cc2ccc(O)cc2)c1
CACTVS 3.385	OC(=O)c1cccc(/C=C/c2ccc(O)cc2)c1
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)C=Cc2ccc(cc2)O
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O

Name:

3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid

ChEMBL:

CHEMBL4060726

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).