BioLiP

PDB

BioLiP

PDB CCD ID:

UK9

Number of entries in BioLiP:

Chemical formula:

C15 H10 O4

InChI:

InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H

InChIKey:

COCYGNDCWFKTMF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O
CACTVS 3.385	Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3

Name:

7,8-bis(oxidanyl)-2-phenyl-chromen-4-one

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).