Bioactive Compound Details

BioIDbio200400
Name2-METHOXYESTRADIOL
ChEMBL IDCHEMBL299613
Molecular FormulaC19H26O3
Molecular Weight302.41
Molecular Weight (Monoisotopic)302.1882
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
Synonyms2-METHOXYESTRADIOL|2-METHOXYOESTRADIOL|NSC-659853
SmilesCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InchiInChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
Inchi KeyCQOQDQWUFQDJMK-SSTWWWIQSA-N
Molecular SpeciesNEUTRAL
Targets92.0
Bioactivities286.0
Np Likeness Score2.16
Records Key['7', '1', '1', '1', '1', '1', '2ME', '2-methoxyestradiol', '12', 'NCGC00094082-01', '2-ME2 (Panzem)', '2ME2', '6', '2-methoxyestradiol', '1, 2ME2', '2ME2', 'Table 3 R4C1', '2ME2', '1', '1', '1, 2-ME', '1', '2-methoxyestradiol', 'SID90340800', '2-Methoxyestradiol', '40', '2-ME', '2-methoxyestradiol', 'SID50106559', 'SID50106560', '70', '2; 2-ME2', '1 (2-MeOE2)', '2-methoxyestradiol', '5b', '2-ME2', '2-Methoxyestradiol', '2-METHOXYESTRADIOL', '2', '1', '2-METHOXYESTRADIOL', '2-methoxyestradiol', 'SID11532969', '2ME2, Panzem', 'SID56423644', '2-methoxyestradiol', '2-METHOXYESTRADIOL', '2-methoxyestradiol', 'B3', 'ME', '2ME2', '2-METHOXYESTRADIOL', '2-methoxyestradiol', '2-methoxyestradiol', 'COVC-2287610749', '2-methoxyestradiol', '2-ME', '576']
Records Name['(8R,9S,13S,14S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '(13S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '(13S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '(8R,9S,13S,14S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '2-methoxy-estradiol', '2-methoxyestradiol', '2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '(13S,17S)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '2-methoxyestradiol', '2-methoxyestradiol', '2-methoxyestradiol', '(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '2-methoxyestradiol', '2-methoxyestradiol', '2-methoxyestradiol', '(13S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', 'SID90340800', '2-Methoxyestradiol', '(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '2-methoxyestradiol', 'SID50106559', 'SID50106560', '2-methoxyestradiol', '2-methoxyestradiol', '(13S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-methoxyestradiol', '2-Methoxyestradiol', '2-METHOXYESTRADIOL', '(8R,9S,13S,14S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '(13S,17S)-2-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-METHOXYESTRADIOL', '2-methoxyestradiol', 'SID11532969', '2-Methoxyestradiol', 'SID56423644', '2-methoxyestradiol', '2-METHOXYESTRADIOL', '2-methoxyestradiol', '2-Methoxy-estradiol', '2-methoxyestradiol', '2-Methoxyestradiol', '2-METHOXYESTRADIOL', '2-methoxyestradiol', '2-methoxyestradiol', '2-METHOXYESTRADIOL', '2-methoxyestradiol', '2-Methoxyestradiol', '(
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure