Bioactive Compound Details

BioIDbio88471
NameECHIMIDINE N-OXIDE
ChEMBL IDCHEMBL2269157
Molecular FormulaC20H31NO8
Molecular Weight413.47
Molecular Weight (Monoisotopic)413.205
TypeSmall molecule
Max Phase--
Target IDTar64
Target NameNone
SynonymsNone
SmilesC/C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12
InchiInChI=1S/C20H31NO8/c1-6-12(2)17(23)29-15-8-10-21(27)9-7-14(16(15)21)11-28-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-,21?/m0/s1
Inchi KeyKDJGEXAPDZNXSD-KCFAIRMISA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities8.0
Np Likeness Score2.54
Records Key['14']
Records Name['echimidine N-oxide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure