Common name
afidopyropen
Formula
C33H39NO9
CAS
915972-17-7
IUPAC name
[(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-[(cyclopropylcarbonyl)oxy]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-6,12-dihydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-4-yl]methyl cyclopropanecarboxylate
SMILES
C[C@]12CC[C@@H]([C@@](C)(COC(=O)C3CC3)[C@@H]1C[C@@H]([C@]1(C)[C@@H]2[C@H](c2c(cc(c3cccnc3)oc2=O)O1)O)O)OC(=O)C1CC1
INCHI
InChI=1S/C33H39NO9/c1-31-11-10-24(42-29(38)18-8-9-18)32(2,16-40-28(37)17-6-7-17)22(31)14-23(35)33(3)27(31)26(36)25-21(43-33)13-20(41-30(25)39)19-5-4-12-34-15-19/h4-5,12-13,15,17-18,22-24,26-27,35-36H,6-11,14,16H2,1-3H3/t22-,23+,24+,26+,27-,31+,32+,33-/m1/
Physicochemical Properties
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Lipophilicity
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Geometric
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Electrostatic
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Radar annotation
Insecticide-likeness scores
The higher the score, the better the insecticide-likeness
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