BioLiP

PDB

BioLiP

PDB CCD ID:

VEX

Number of entries in BioLiP:

Chemical formula:

C10 H14 O4

InChI:

InChI=1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

InChIKey:

DGJVVEVPKPOLEV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(CO)c(OC)c1OC
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1OC)OC)CO
ACDLabs 12.01	COc1c(OC)c(ccc1OC)CO

Name:

(2,3,4-trimethoxyphenyl)methanol

ZINC:

ZINC000000406977

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).