BioLiP

PDB

BioLiP

PDB CCD ID:

O9Z

Number of entries in BioLiP:

Chemical formula:

C15 H9 F O4

InChI:

InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H

InChIKey:

XSYORHATJHJUAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F
CACTVS 3.385	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3

Name:

2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

ChEMBL:

CHEMBL486407

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).