BioLiP

PDB

BioLiP

PDB CCD ID:

WLO

Number of entries in BioLiP:

Chemical formula:

C11 H16 O5

InChI:

InChI=1S/C11H16O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,8,12-14H,3-4H2,1-2H3/t8-/m0/s1

InChIKey:

VQYYQUAHCMYHFL-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(cc(OC)c1O)[C@@H](O)CCO
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1O)OC)[C@H](CCO)O
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1O)OC)C(CCO)O
CACTVS 3.385	COc1cc(cc(OC)c1O)[CH](O)CCO
ACDLabs 12.01	COc1cc(cc(OC)c1O)C(O)CCO

Name:

(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol

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).