BioLiP

PDB

BioLiP

PDB CCD ID:

QMA

Number of entries in BioLiP:

Chemical formula:

C12 H10 O3

InChI:

InChI=1S/C12H10O3/c1-15-9-3-4-10-8(6-9)2-5-12(14)11(10)7-13/h2-7,14H,1H3

InChIKey:

OTNKCGQLSHSABI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)ccc(c2C=O)O
ACDLabs 12.01	c1cc(O)c(C=O)c2ccc(cc12)OC
CACTVS 3.385	COc1ccc2c(ccc(O)c2C=O)c1

Name:

2-hydroxy-6-methoxynaphthalene-1-carbaldehyde

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).