BioLiP

PDB

BioLiP

PDB CCD ID:

P5G

Number of entries in BioLiP:

Chemical formula:

C20 H24 O5

InChI:

InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1

InChIKey:

ROGUIJKVZZROIQ-HOTGVXAUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O
ACDLabs 12.01	c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC
CACTVS 3.385	COc1cc(C[CH]2COC[CH]2Cc3ccc(O)c(OC)c3)ccc1O
OpenEye OEToolkits 2.0.7	COc1cc(ccc1O)CC2COCC2Cc3ccc(c(c3)OC)O
CACTVS 3.385	COc1cc(C[C@H]2COC[C@@H]2Cc3ccc(O)c(OC)c3)ccc1O

Name:

4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)

ChEMBL:

CHEMBL367448

ZINC:

ZINC000005999108

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).