Bioactive Compound Details

BioIDbio200187
Name3BETA,20BETA-DIHYDROXY-16ALPHA-[2(2-HYDROXYETHOXY)-ETHOXY]-PREGN-5-EN
ChEMBL IDCHEMBL2261225
Molecular FormulaC25H42O5
Molecular Weight422.61
Molecular Weight (Monoisotopic)422.3032
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC[C@H](O)[C@H]1[C@H](OCCOCCO)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InchiInChI=1S/C25H42O5/c1-16(27)23-22(30-13-12-29-11-10-26)15-21-19-5-4-17-14-18(28)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,26-28H,5-15H2,1-3H3/t16-,18-,19+,20-,21-,22+,23-,24-,25-/m0/s1
Inchi KeyMVBPJOVVSQJJEM-PKMWNNFBSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities11.0
Np Likeness Score2.2
Records Key['11']
Records Name['3beta,20beta-Dihydroxy-16alpha-[2(2-hydroxyethoxy)-ethoxy]-pregn-5-en']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure