Bioactive Compound Details

BioIDbio197176
Name2'-EPISILVESTROL
ChEMBL IDCHEMBL1651036
Molecular FormulaC34H38O13
Molecular Weight654.67
Molecular Weight (Monoisotopic)654.2312
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2''-Episilvestrol
SmilesCOC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(O[C@@H]4O[C@@H]([C@@H](O)CO)CO[C@H]4OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
InchiInChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31+,32+,33-,34-/m0/s1
Inchi KeyGVKXFVCXBFGBCD-JRPGFILLSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score1.95
Records Key['8', '4']
Records Name[2'''-episilvestrol", 'Episilvestrol']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure