Bioactive Compound Details

BioIDbio200172
Name3BETA-ACETOXY-16ALPHA-(2-METHOXY ETHOXY)-PREGN-5-EN-20-ONE
ChEMBL IDCHEMBL2261488
Molecular FormulaC26H40O5
Molecular Weight432.6
Molecular Weight (Monoisotopic)432.2876
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCOCCO[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/C26H40O5/c1-16(27)24-23(30-13-12-29-5)15-22-20-7-6-18-14-19(31-17(2)28)8-10-25(18,3)21(20)9-11-26(22,24)4/h6,19-24H,7-15H2,1-5H3/t19-,20+,21-,22-,23+,24-,25-,26-/m0/s1
Inchi KeyWQOMBXVQUKOYTF-SQLUACQTSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities11.0
Np Likeness Score1.93
Records Key['9']
Records Name['3beta-Acetoxy-16alpha-(2-methoxy ethoxy)-pregn-5-en-20-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure