Bioactive Compound Details

BioIDbio199024
Name3BETA-ACETOXY-16ALPHA-(2-ACETOXY PROPOXY)-PREGN-5-EN-20-ONE
ChEMBL IDCHEMBL2261489
Molecular FormulaC28H42O6
Molecular Weight474.64
Molecular Weight (Monoisotopic)474.2981
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(=O)OC(C)CO[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
InchiInChI=1S/C28H42O6/c1-16(33-18(3)30)15-32-25-14-24-22-8-7-20-13-21(34-19(4)31)9-11-27(20,5)23(22)10-12-28(24,6)26(25)17(2)29/h7,16,21-26H,8-15H2,1-6H3/t16?,21-,22+,23-,24-,25+,26-,27-,28-/m0/s1
Inchi KeyRDRJSAUUTMEMMK-GHFMIWRGSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities11.0
Np Likeness Score1.95
Records Key['10']
Records Name['3beta-Acetoxy-16alpha-(2-acetoxy propoxy)-pregn-5-en-20-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure