BioLiP

PDB

BioLiP

PDB CCD ID:

EZE

Number of entries in BioLiP:

Chemical formula:

C14 H12 O4

InChI:

InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+

InChIKey:

PDHAOJSHSJQANO-OWOJBTEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O
CACTVS 3.385	Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
OpenEye OEToolkits 2.0.6	c1cc(c(cc1O)O)C=Cc2cc(cc(c2)O)O

Name:

trans-oxyresveratrol

ChEMBL:

CHEMBL43065

ZINC:

ZINC000000899161

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).