BioLiP

PDB

BioLiP

PDB CCD ID:

QOI

Number of entries in BioLiP:

Chemical formula:

C14 H8 O5

InChI:

InChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)14(19)11-7(13(8)18)2-1-3-9(11)16/h1-5,15-17H

InChIKey:

VVEKCQAFOLKNKB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
CACTVS 3.385	Oc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

Name:

1,3,8-tris(oxidanyl)anthracene-9,10-dione

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).