Bioactive Compound Details

BioIDbio2527
NameNone
ChEMBL IDCHEMBL477912
Molecular FormulaC20H28O3
Molecular Weight316.44
Molecular Weight (Monoisotopic)316.2038
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms8(9)Alpha-Epoxyestenone
SmilesCC1=C2C[C@]3(C)C(=O)C[C@@H](C(C)C)[C@H]3C[C@H]3O[C@@]3(C)[C@@H]2CC1=O
InchiInChI=1S/C20H28O3/c1-10(2)12-6-17(22)19(4)9-13-11(3)16(21)7-15(13)20(5)18(23-20)8-14(12)19/h10,12,14-15,18H,6-9H2,1-5H3/t12-,14+,15+,18+,19-,20-/m0/s1
Inchi KeyHBAXQDCUBUUJCH-DMYWNUKNSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.95
Records Key['2', '14']
Records Name['8(9)alpha-epoxyestenone', '8(9)alpha-epoxyhypoestenone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure