BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H6 O3

InChI:

InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H

InChIKey:

CSFWPUWCSPOLJW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC1=CC(=O)c2ccccc2C1=O
ACDLabs 10.04	O=C2c1c(cccc1)C(=O)C(O)=C2
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C(=O)C=C(C2=O)O

Name:

2-HYDROXYNAPHTHOQUINONE;
2-HYDROXY-1,4-NAPHTHOQUINONE

ChEMBL:

CHEMBL240963

DrugBank:

DB04744

ZINC:

ZINC000004632115

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).