BioLiP

PDB

BioLiP

PDB CCD ID:

7NA

Number of entries in BioLiP:

Chemical formula:

C13 H12 O4

InChI:

InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)

InChIKey:

LYGUXQMPYLCEGL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1cc(cc2c1ccc(c2C(=O)O)O)OC
CACTVS 3.352	COc1cc(C)c2ccc(O)c(C(O)=O)c2c1
ACDLabs 11.02	O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C

Name:

2-hydroxy-7-methoxy-5-methyl naphthoic acid;
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

ZINC:

ZINC000058638424

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).