Bioactive Compound Details

BioIDbio199630
NameNone
ChEMBL IDCHEMBL467987
Molecular FormulaC18H24O3
Molecular Weight288.39
Molecular Weight (Monoisotopic)288.1725
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Hydroxy-Estradiol|2-Hydroxyestradiol
SmilesC[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InchiInChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
Inchi KeyDILDHNKDVHLEQB-XSSYPUMDSA-N
Molecular SpeciesNEUTRAL
Targets53.0
Bioactivities91.0
Np Likeness Score2.23
Records Key['2-Hydroxy-estradiol', '9', '1', '2-Hydroxyestradiol', '2', '2-Hydroxyestradiol', 'SID11532926', '2-hydroxy-estradiol']
Records Name['13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol', '(S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol', '2-hydroxy-17beta-estradiol', '2-Hydroxyestradiol', '2-Hydroxyestradiol', '13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol', 'SID11532926', '2-hydroxy-estradiol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure