BioLiP

PDB

BioLiP

PDB CCD ID:

OST

Number of entries in BioLiP:

Chemical formula:

C19 H18 O3

InChI:

InChI=1S/C19H18O3/c1-21-14-18(19(20)22-2)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3/b13-12+,18-14+

InChIKey:

VEJCBCPEURAYAS-MEAXDALNSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(OC)\C(=C\OC)c2ccccc2\C=C\c1ccccc1
CACTVS 3.341	CO/C=C(/C(=O)OC)c1ccccc1\C=C\c2ccccc2
OpenEye OEToolkits 1.5.0	CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC
CACTVS 3.341	COC=C(C(=O)OC)c1ccccc1C=Cc2ccccc2
OpenEye OEToolkits 1.5.0	COC=C(c1ccccc1C=Cc2ccccc2)C(=O)OC

Name:

METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE

DrugBank:

DB08330

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).