BioLiP

PDB

BioLiP

PDB CCD ID:

FSV

Number of entries in BioLiP:

Chemical formula:

C14 H11 F O3

InChI:

InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+

InChIKey:

VDUXKKFOASWEKM-OWOJBTEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(O)cc(C=Cc2ccc(O)c(F)c2)c1
CACTVS 3.385	Oc1cc(O)cc(/C=C/c2ccc(O)c(F)c2)c1
OpenEye OEToolkits 1.7.6	c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O
OpenEye OEToolkits 1.7.6	c1cc(c(cc1C=Cc2cc(cc(c2)O)O)F)O
ACDLabs 12.01	Fc2cc(\C=C\c1cc(O)cc(O)c1)ccc2O

Name:

5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol;
fluoro-resveratrol

ZINC:

ZINC000098208903

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).