Bioactive Compound Details

BioIDbio2217
NameNone
ChEMBL IDCHEMBL516385
Molecular FormulaC28H32O11
Molecular Weight544.55
Molecular Weight (Monoisotopic)544.1945
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(9R)-9'-Hydroxylariciresinol Tetraacetate
SmilesCOc1cc(C[C@H]2[C@H](OC(C)=O)O[C@H](c3ccc(OC(C)=O)c(OC)c3)[C@H]2COC(C)=O)ccc1OC(C)=O
InchiInChI=1S/C28H32O11/c1-15(29)35-14-22-21(11-19-7-9-23(36-16(2)30)25(12-19)33-5)28(38-18(4)32)39-27(22)20-8-10-24(37-17(3)31)26(13-20)34-6/h7-10,12-13,21-22,27-28H,11,14H2,1-6H3/t21-,22+,27-,28-/m1/s1
Inchi KeyGIAQIYAFEYOFQJ-JGZRHYTASA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.14
Records Key['5a']
Records Name[(9R)-9'-hydroxylariciresinol tetraacetate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure