BioLiP

PDB

BioLiP

PDB CCD ID:

D2M

Number of entries in BioLiP:

Chemical formula:

C16 H18 O6

InChI:

InChI=1S/C16H18O6/c1-18-11-6-5-7-12(19-2)16(11)22-10-8-13(20-3)15(17)14(9-10)21-4/h5-9,17H,1-4H3

InChIKey:

JKALBPJYUOVWCR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC
CACTVS 3.341	COc1cc(Oc2c(OC)cccc2OC)cc(OC)c1O
ACDLabs 10.04	O(c1cc(OC)c(O)c(OC)c1)c2c(OC)cccc2OC

Name:

4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol

ZINC:

ZINC000058638437

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).