BioLiP

PDB

BioLiP

PDB CCD ID:

UB9

Number of entries in BioLiP:

Chemical formula:

C9 H12 O3

InChI:

InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3

InChIKey:

ZFBNNSOJNZBLLS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c(c(c1)OC)O)OC
ACDLabs 12.01 CACTVS 3.385	COc1cc(C)cc(OC)c1O

Name:

2,6-dimethoxy-4-methylphenol

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).