Bioactive Compound Details

BioIDbio199109
NameNone
ChEMBL IDCHEMBL1083048
Molecular FormulaC22H29NO7
Molecular Weight419.47
Molecular Weight (Monoisotopic)419.1944
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms(11Z)-1'Beta,2'Beta-Dihydroxystemofoline
SmilesCC[C@@H](O)[C@H](O)C12C3CC4C5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)C1CCN42
InchiInChI=1S/C22H29NO7/c1-5-12(24)19(25)21-13-6-7-23(21)11-8-14(21)29-22(13)15(11)9(2)17(30-22)18-16(27-4)10(3)20(26)28-18/h9,11-15,19,24-25H,5-8H2,1-4H3/b18-17-/t9-,11?,12-,13?,14?,15?,19+,21?,22-/m1/s1
Inchi KeyUSWYAZMZKYTOPO-IGNSFXPWSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score3.69
Records Key['16']
Records Name[(11Z)-1'beta,2'beta-Dihydroxystemofoline"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure