Bioactive Compound Details

BioIDbio197211
Name3BETA-ACETOXY-16ALPHA-[2(2-ACETOXY ETHOXY)-ETHOXY]-PREGN-5-EN-20-ONE
ChEMBL IDCHEMBL2261487
Molecular FormulaC29H44O7
Molecular Weight504.66
Molecular Weight (Monoisotopic)504.3087
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(=O)OCCOCCO[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/C29H44O7/c1-18(30)27-26(35-15-13-33-12-14-34-19(2)31)17-25-23-7-6-21-16-22(36-20(3)32)8-10-28(21,4)24(23)9-11-29(25,27)5/h6,22-27H,7-17H2,1-5H3/t22-,23+,24-,25-,26+,27-,28-,29-/m0/s1
Inchi KeyGNIJDEXPULDQLR-WEDUVFFXSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities20.0
Np Likeness Score1.71
Records Key['8']
Records Name['3beta-Acetoxy-16alpha-[2(2-acetoxy ethoxy)-ethoxy]-pregn-5-en-20-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure