Bioactive Compound Details

BioIDbio2180
Name9-EPI-10-DEOXOARTEMISININ
ChEMBL IDCHEMBL477092
Molecular FormulaC15H24O4
Molecular Weight268.35
Molecular Weight (Monoisotopic)268.1675
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesC[C@@H]1CC[C@H]2[C@H](C)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4
InchiInChI=1S/C15H24O4/c1-9-4-5-11-10(2)8-16-13-15(11)12(9)6-7-14(3,17-13)18-19-15/h9-13H,4-8H2,1-3H3/t9-,10-,11+,12+,13-,14-,15+/m1/s1
Inchi KeyBOQMASYCUFVXCR-ZWGONVHWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score3.39
Records Key['Deoxoartemisinin']
Records Name['9-epi-10-deoxoartemisinin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure