BioLiP

PDB

BioLiP

PDB CCD ID:

A1D7Z

Number of entries in BioLiP:

Chemical formula:

C9 H12 O2

InChI:

InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3

InChIKey:

AUFZRCJENRSRLY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(O)c(C)c(C)c1O
OpenEye OEToolkits 2.0.7	Cc1cc(c(c(c1O)C)C)O

Name:

2,3,5-trimethylbenzene-1,4-diol;
Trimethylhydroquinone

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).