Common name
doramectin
Formula
C50H74O14
CAS
117704-25-3
IUPAC name
25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a
SMILES
C[C@H]1/C=C/C=C/2\CO[C@@H]3[C@@H](C(=C[C@@H](C(=O)O[C@H]4C[C@@H](C/C=C(\C)/[C@H]1O[C@H]1C[C@@H]([C@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@H]([C@H](C)O1)O)OC)OC)O[C@@]1(C=C[C@H](C)[C@@H](C5CCCCC5)O1)C4)[C@]23O)C)O
INCHI
InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-
Physicochemical Properties
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Insecticide-likeness scores
The higher the score, the better the insecticide-likeness
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