Bioactive Compound Details

BioIDbio197201
NameNone
ChEMBL IDCHEMBL425194
Molecular FormulaC19H24O3
Molecular Weight300.4
Molecular Weight (Monoisotopic)300.1725
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Methoxyestrone
SmilesCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InchiInChI=1S/C19H24O3/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/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
Inchi KeyWHEUWNKSCXYKBU-QPWUGHHJSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities13.0
Np Likeness Score2.03
Records Key['1', '6', '2-methoxyestrone', 'B2', 'A69', '569']
Records Name['(8R,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one', '(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one', '2-methoxyestrone', '2-Methoxy-estrone', '(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one', '(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure