BioLiP

PDB

BioLiP

PDB CCD ID:

ILW

Number of entries in BioLiP:

Chemical formula:

C9 H12 O3

InChI:

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

InChIKey:

LKUDPHPHKOZXCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(OC)cc(OC)c1
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1)OC)OC

Name:

1,3,5-trimethoxybenzene

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).