Bioactive Compound Details

BioIDbio139926
NameABAMECTIN
ChEMBL IDCHEMBL3215298
Molecular FormulaC95H142O28
Molecular Weight1732.15
Molecular Weight (Monoisotopic)1730.9688
TypeUnknown
Max PhasePhase 3
Target IDTar102
Target NameNone
SynonymsABAMECTIN|ABAMECTINA|ABAMECTINE|AGRI-MEK|AVERMECTIN B1|AVOMEC|BOVITIN|DORATECT|DUOMECTIN|DUOTIN|MK-0936|MK-936|NSC-758202
SmilesCC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
InchiInChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
Inchi KeyIBSREHMXUMOFBB-JFUDTMANSA-N
Molecular SpeciesNone
Targets134.0
Bioactivities818.0
Np Likeness ScoreNone
Records Key['Abamectin', 'Abamectin, Vertimec', 'Ab', 'Abamectin, ABBA 0.15 EC', 'Abamectin', 'SID50113085', 'Abamectin', 'SID144211158', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'ABAMECTIN', 'ABAMECTIN', 'Abamectin', 'Abamectin', 'ABAMECTIN', 'ABAMECTIN', 'SID144204847', 'Abamectin, Vertimec']
Records Name['Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'SID50113085', 'Abamectin', 'SID144211158', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'Abamectin', 'ABAMECTIN', 'Abamectin', 'Abamectin', 'Abamectin', 'ABAMECTIN', 'ABAMECTIN', 'SID144204847', 'Abamectin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure