BioLiP

PDB

BioLiP

PDB CCD ID:

W4F

Number of entries in BioLiP:

Chemical formula:

C18 H22 O5

InChI:

InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3

InChIKey:

UXDFUVFNIAJEGM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1O)CCc2cc(c(c(c2)OC)OC)OC
CACTVS 3.385	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O

Name:

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol;
Erianin

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).