BioLiP

PDB

BioLiP

PDB CCD ID:

QP3

Number of entries in BioLiP:

Chemical formula:

C16 H12 O5

InChI:

InChI=1S/C16H12O5/c1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3

InChIKey:

MCHNUYTWURIGNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	COc1cc2c(c(c1)OC)C(=O)c3c(cccc3O)C2=O
CACTVS 3.385	COc1cc(OC)c2C(=O)c3c(O)cccc3C(=O)c2c1

Name:

1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione

ZINC:

ZINC000005812873

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).