BioLiP

PDB

BioLiP

PDB CCD ID:

QW8

Number of entries in BioLiP:

Chemical formula:

C10 H8 O4

InChI:

InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H

InChIKey:

BCMKHWMDTMUUSI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2cc(cc(c2c(cc1O)O)O)O
CACTVS 3.385	Oc1cc(O)c2c(O)cc(O)cc2c1

Name:

naphthalene-1,3,6,8-tetrol;
1,3,6,8-tetrahydroxynaphthalene

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).