BioLiP

PDB

BioLiP

PDB CCD ID:

A1D7Y

Number of entries in BioLiP:

Chemical formula:

C8 H10 O3

InChI:

InChI=1S/C8H10O3/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,9-10H,1-2H3

InChIKey:

RNDWEMBYMPZABZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(O)cc(C)c1O
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1O)OC)O

Name:

2-methoxy-6-methyl-benzene-1,4-diol;
62AA03E1HR

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).