BioLiP

PDB

BioLiP

PDB CCD ID:

PWK

Number of entries in BioLiP:

Chemical formula:

C20 H26 O4

InChI:

InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1

InChIKey:

ADFOLUXMYYCTRR-ZIAGYGMSSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O
ACDLabs 12.01	Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2
OpenEye OEToolkits 1.7.6	CC(Cc1ccc(c(c1)OC)O)C(C)Cc2ccc(c(c2)OC)O
OpenEye OEToolkits 1.7.6	C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O
CACTVS 3.385	COc1cc(C[CH](C)[CH](C)Cc2ccc(O)c(OC)c2)ccc1O

Name:

4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol);
Dihydroguaiaretic acid

ChEMBL:

CHEMBL375927

ZINC:

ZINC000001863457

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).