BioLiP

PDB

BioLiP

PDB CCD ID:

3O7

Number of entries in BioLiP:

Chemical formula:

C14 H8 O6

InChI:

InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H

InChIKey:

SOGCSKLTQHBFLP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O
CACTVS 3.385	Oc1ccc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
ACDLabs 12.01	O=C2c1c(c(O)ccc1O)C(=O)c3c2c(O)ccc3O

Name:

1,4,5,8-tetrahydroxyanthracene-9,10-dione;
1,4,5,8-Tetrahydroxy anthraquinone

ChEMBL:

CHEMBL5201761

ZINC:

ZINC000003875542

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).