BioLiP

PDB

BioLiP

PDB CCD ID:

V5P

Number of entries in BioLiP:

Chemical formula:

C16 H16 O4

InChI:

InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+

InChIKey:

KQPXJFAYGYIGRU-ONEGZZNKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(ccc1O)C=Cc2ccc(O)c(OC)c2
ACDLabs 12.01	c1(ccc(O)c(c1)OC)\C=C\c2cc(c(cc2)O)OC
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O
CACTVS 3.385	COc1cc(ccc1O)\C=C\c2ccc(O)c(OC)c2
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)C=Cc2ccc(c(c2)OC)O

Name:

lignostilbene;
4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol)

ChEMBL:

CHEMBL2260731

ZINC:

ZINC000000185070

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).