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BioLiP

PDB CCD ID: P5G
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O
ACDLabs 12.01c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC
CACTVS 3.385COc1cc(C[CH]2COC[CH]2Cc3ccc(O)c(OC)c3)ccc1O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)CC2COCC2Cc3ccc(c(c3)OC)O
CACTVS 3.385COc1cc(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, Peter L 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).

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