Bioactive Compound Details

BioIDbio199438
NameNone
ChEMBL IDCHEMBL241993
Molecular FormulaC19H26O2
Molecular Weight286.42
Molecular Weight (Monoisotopic)286.1933
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Methylestradiol
SmilesCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InchiInChI=1S/C19H26O2/c1-11-9-15-12(10-17(11)20)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h9-10,13-14,16,18,20-21H,3-8H2,1-2H3/t13-,14+,16-,18-,19-/m0/s1
Inchi KeyPAZNMSHBVDFVSA-NNYOOSKESA-N
Molecular SpeciesNEUTRAL
Targets61.0
Bioactivities73.0
Np Likeness Score2.21
Records Key['7', '9', 'SID511959', '8', '206d', 'B4']
Records Name['(13S,17S)-2,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '(13S,17S)-2,13-Dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', 'SID511959', '2-methylestradiol', '(8R,9S,13S,14S,17S)-2,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-Methyl-estradiol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure