BioLiP

PDB

BioLiP

PDB CCD ID:

I5W

Number of entries in BioLiP:

Chemical formula:

C22 H18 O3

InChI:

InChI=1S/C22H18O3/c1-15-7-10-18(17-5-3-2-4-6-17)14-19(15)20-13-16(8-11-21(20)23)9-12-22(24)25/h2-14,23H,1H3,(H,24,25)/b12-9+

InChIKey:

ZVBMBUNLXBSQPU-FMIVXFBMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1c2cc(ccc2O)C=CC(=O)O)c3ccccc3
CACTVS 3.385	Cc1ccc(cc1c2cc(\C=C\C(O)=O)ccc2O)c3ccccc3
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3
CACTVS 3.385	Cc1ccc(cc1c2cc(C=CC(O)=O)ccc2O)c3ccccc3

Name:

(~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid

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).