Common name
emamectin
Formula
C49H75NO13 (emamectin B1a) + C48H73NO13 (emamectin B1b)
CAS
119791-41-2, formerly 123997-28-4 and 137335-79-6
IUPAC name
(4''R)-4''-deoxy-4''-(methylamino)avermectin B1
SMILES
CC[C@H](C)[C@@H]1[C@@H](C)C=C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)/[C@H]([C@@H](C)/C=C/C=C/4\CO[C@@H]5[C@@H](C(=C[C@@H](C(=O)O3)[C@]45O)C)O)O[C@H]3C[C@@H]([C@H]([C@H](C)O3)O[C@H]3C[C@@H]([C@@H]([C@H](C)O3)NC)OC)OC)O2)O1
INCHI
InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46
Physicochemical Properties
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Radar annotation
Insecticide-likeness scores
The higher the score, the better the insecticide-likeness
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