AZADIRACTIN

/static/temp/default.svg Search structure
UNII O4U1SAF85H
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key FTNJWQUOZFUQQJ-NDAWSKJSSA-N
Smiles COC(=O)[C@@]1(O)OC[C@@]23[C@H](C[C@@H](OC(=O)C)[C@]4(CO[C@@H]([C@@H](O)[C@](C)([C@H]12)[C@]56O[C@@]5(C)[C@H]7C[C@@H]6O[C@@H]8OC=C[C@]78O)[C@H]34)C(=O)OC)OC(=O)\C(=C\C)\C
InChI
InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H44O16
Molecular Weight 720.71
AlogP -1.45
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 215.33
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 51.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against third to fourth instar larvae Spodoptera littoralis in broad bean plant assessed as mortality rate at 25 mg/L (Rvb = 33.3%) Spodoptera littoralis 100.0 %
Insecticidal activity against third to fourth-instar nymphs stage Macrosteles quadripunctulatus assessed as mortality rate at 25 mg/L (Rvb = 11.4%) Macrosteles quadripunctulatus 85.7 %
Insecticidal activity against Bemisia tabaci (sweet potato whitefly) in cucumber plant assessed as mortality rate at 25 mg/L relative to control Bemisia tabaci 94.1 %
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed by dual choice leaf disc bioassay Spodoptera litura 60.0 %
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed at 1 ug/cm'2 by dual choice leaf disc bioassay (Rvb = 53 +/- 2.44 to 53.6 +/- 2.61 cm'2) Spodoptera litura 20.3 cm2
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed at 5 ug/cm'2 by dual choice leaf disc bioassay (Rvb = 52.6 +/- 1.34 to 55.6 +/- 3.71 cm'2) Spodoptera litura 13.5 cm2
Antifeedant activity against Spodoptera litura in Ricinus communis leaves assessed as mean leaf area fed at 10 ug/cm'2 by dual choice leaf disc bioassay (Rvb = 52.8 +/- 2.50 to 53.6 +/- 4.76 cm'2) Spodoptera litura 5.0 cm2
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed by dual choice leaf disk bioassay Henosepilachna vigintioctopunctata 56.0 %
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed at 1 ug/cm'2 by dual choice leaf disk bioassay (Rvb = 0.75 +/- 0.06 to 0.92 +/- 0.05 cm'2) Henosepilachna vigintioctopunctata 0.4 cm2
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed at 5 ug/cm'2 by dual choice leaf disk bioassay (Rvb = 0.74 +/- 0.02 to 0.91 +/- 0.01 cm'2) Henosepilachna vigintioctopunctata 0.2 cm2
Antifeedant activity against Henosepilachna vigintioctopunctata in Solanum nigrum leaves assessed as mean leaf area fed at 10 ug/cm'2 by dual choice leaf disk bioassay (Rvb = 0.78 +/- 0.04 to 0.99 +/- 0.17 cm'2) Henosepilachna vigintioctopunctata 0.05 cm2
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as insect mortality at 0.5 ug/cm2 by dual choice leaf disk method (Rvb = 4%) Olepa ricini 16.0 %
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as pupal weight at 0.5 ug/cm2 by dual choice leaf disk method (Rvb = 476 +/- 10.6 mg) Olepa ricini 344.0 mg
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as duration of development of pupa at 0.5 ug/cm2 by dual choice leaf disk method (Rvb = 7.5 +/- 0.3 days) Olepa ricini 7.4 day
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as duration of development of fifth-instar larvae at 0.5 ug/cm2 by dual choice leaf disk method (Rvb = 4.5 +/- 0.4 days) Olepa ricini 5.7 day
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as duration of development of fourth-instar larvae at 0.5 ug/cm2 by dual choice leaf disk method (Rvb = 7.5 +/- 0.2 days) Olepa ricini 8.6 day
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as duration of development of third-instar larvae at 0.5 ug/cm2 by dual choice leaf disk method (Rvb = 4.5 +/- 0.7 days) Olepa ricini 7.0 day
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as percent feeding index at 50 ug/cm2 by dual choice leaf disk method Olepa ricini 10.0 %
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as percent feeding index at 10 ug/cm2 by dual choice leaf disk method Olepa ricini 12.5 %
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as percent feeding index at 5 ug/cm2 by dual choice leaf disk method Olepa ricini 15.6 %
Antifeedant activity against Olepa ricini fed on compound pre-treated castor leaves assessed as percent feeding index at 1 ug/cm2 by dual choice leaf disk method Olepa ricini 20.8 %
Antifeedant activity against fourth-instar larval stage of Spodoptera litura reared on castor leaves assessed as decrease in food consumption at 50 to 150 ug/cm2 measured after 48 hr by no-choice leaf disk assay relative to untreated control Spodoptera litura 81.0 %
Antifeedant activity against fourth-instar larval stage of Spodoptera litura reared on castor leaves assessed as decrease in food consumption at 150 ug/cm2 after 48 hr by no-choice leaf disk assay relative to untreated control Spodoptera litura 50.0 %
Antifeedant activity against fourth-instar larval stage of Spodoptera litura reared on castor leaves assessed as decrease in food consumption at 100 ug/cm2 after 48 hr by no-choice leaf disk assay relative to untreated control Spodoptera litura 40.0 %
Antifeedant activity against Spodoptera littoralis assessed as inhibition of feeding by choice feeding assay relative to untreated control Spodoptera littoralis 0.5 10'-6microg/cm2
Antifeedant activity against larvae of Spodoptera litura in castor leaves relative to control Spodoptera litura 27.5 %

Cross References

Resources Reference
ChEMBL CHEMBL509309
FDA SRS O4U1SAF85H
SureChEMBL SCHEMBL27784
CONTENTS