FUXIAN

/static/temp/default.svg Search structure
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 TUCSJFNYZJYLHE-UHFFFAOYSA-N
Smiles CC1Cc2ccc(C(=O)NN(C(=O)c3cc(C)cc(C)c3)C(C)(C)C)c(C)c2O1
InChI
InChI=1S/C24H30N2O3/c1-14-10-15(2)12-19(11-14)23(28)26(24(5,6)7)25-22(27)20-9-8-18-13-16(3)29-21(18)17(20)4/h8-12,16H,13H2,1-7H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O3
Molecular Weight 394.51
AlogP 4.9
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 58.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0
Assay Description Organism Bioactivity Reference
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 100 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 50 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 25 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as insecticidal activity at 10 mg/L measured after 4 days by leaf-dip method Mythimna separata 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 200 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 100 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 50 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 100.0 %
Stomach toxicity against third-instar Spodoptera exigua in compound treated fresh cabbage leaves assessed as insecticidal activity at 10 mg/L measured after 3 days by leaf-dip method Spodoptera exigua 90.0 %
Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 200 mg/L measured after 3 days by leaf-dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 100 mg/L measured after 3 days by leaf-dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instar Plutella xylostella (diamondback moth) in compound treated fresh cabbage leaves assessed as insecticidal activity at 50 mg/L measured after 3 days by leaf-dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instar Ostrinia nubilalis (European corn borer) in compound treated fresh corn leaves assessed as insecticidal activity at 200 mg/L measured after 4 days by leaf-dip method Ostrinia nubilalis 100.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 2.5 mg/kg at 25 +/-1 degC measured after 4 days Mythimna separata 90.0 %
Larvicidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 5 mg/kg at 25 +/-1 degC measured after 4 days Mythimna separata 100.0 %
Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 0.5 mg/kg measured after 7 to 10 days Culex pipiens pallens 50.0 %
Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 1 mg/kg measured after 7 to 10 days Culex pipiens pallens 100.0 %
Stomach toxicity in Ostrinia nubilalis (European corn borer) in compound treated corn leaves assessed as mortality measured after 4 days by leaf-dip method Ostrinia nubilalis 147.78 mg/L Stomach toxicity in Ostrinia nubilalis (European corn borer) in compound treated corn leaves assessed as mortality measured after 4 days by leaf-dip method Ostrinia nubilalis 25.57 ug.mL-1
Contact toxicity in Helicoverpa armigera assessed as mortality at 1000 mg/L by topical application measured after 4 days by leaf-dip method Helicoverpa armigera 60.0 %
Stomach toxicity in Helicoverpa armigera in compound treated corn leaves assessed as mortality at 1000 mg/L measured after 4 days by leaf-dip method Helicoverpa armigera 60.0 %
Contact toxicity in fourth-instar Plutella xylostella (diamondback moth) larva assessed as mortality measured after 72 hr by insect-dip method Plutella xylostella 304.4 ug.mL-1
Contact toxicity in fourth-instar Plutella xylostella (diamondback moth) larva assessed as mortality measured after 48 hr by insect-dip method Plutella xylostella 372.2 ug.mL-1
Contact toxicity in fourth-instar Spodoptera exigua assessed as mortality by topical application measured after 48 hr Spodoptera exigua 59.6 mg/L
Contact toxicity in fourth-instar Spodoptera exigua assessed as mortality by topical application measured after 72 hr Spodoptera exigua 12.6 mg/L
Stomach toxicity in Spodoptera exigua in compound treated cabbage leaves assessed as mortality measured after 3 days by leaf-dip method Spodoptera exigua 5.0 ug.mL-1
Toxicity against fourth-instar larvae of Culex pipiens pallens assessed as mortality at 2 mg/kg measured after 7 to 10 days Culex pipiens pallens 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 2.5 mg/kg measured after 4 days Mythimna separata 95.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 5 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 10 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 25 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 50 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata (Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 100 mg/kg measured after 4 days Mythimna separata 100.0 %
Stomach toxicity in fourth-instar Mythimna separata(Oriental armyworm) larvae in compound treated corn leaves assessed as mortality at 200 mg/kg measured after 4 days Mythimna separata 100.0 %
Chronic toxicity against female adult Anagrus nilaparvatae in petridish under laboratory conditions assessed as reduction in fecundity compound treated as emulsible concentrate with acetone and Triton X-101 relative to untreated control Anagrus 47.0 %
Chronic toxicity against female adult Anagrus nilaparvatae in petridish under laboratory conditions assessed as reduction in longetivity compound treated as emulsible concentrate with acetone and Triton X-100 relative to untreated control Anagrus 29.0 %
Acute contact toxicity against adult Anagrus nilaparvatae assessed as dead parasitoid wasps compound treated for 1 hr measured after 8 hr wash-out period Anagrus 1000.0 mgAi/L
Acute oral toxicity against female adult Anagrus nilaparvatae in petridish under laboratory conditions assessed as mortality compound treated as emulsible concentrate with acetone and Triton X-100 measured after 1 to 8 hr Anagrus 1.1 %
Stomach toxicity against Mythimna separata (Oriental armyworm) fourth-instar larvae reared on compound pre-treated corn leaves assessed as insect mortality at 2.5 mg/kg measured 4 days post compound treatment Mythimna separata 90.0 %
Stomach toxicity against Mythimna separata (Oriental armyworm) fourth-instar larvae reared on compound pre-treated corn leaves assessed as insect mortality at 5 mg/kg measured 4 days post compound treatment Mythimna separata 100.0 %
Stomach toxicity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 2.5 mg/kg at 25+/-1 degC measured after 4 days Mythimna separata 90.0 %
Stomach toxicity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 5 mg/kg at 25+/-1 degC measured after 4 days Mythimna separata 100.0 %
Resistance ratio, ratio of LC50 for third-instar larvae of fufenozide-resistant Plutella xylostella (diamondback moth) to LC50 for third-instar larvae of fufenozide-susceptible Plutella xylostella Plutella xylostella 302.8
Insecticidal activity against third-instar larvae of fufenozide-susceptible Plutella xylostella (diamondback moth) assessed as mortality by leaf-dip bioassay method Plutella xylostella 2.23 ug.mL-1
Insecticidal activity against third-instar larvae of fufenozide-resistant Plutella xylostella (diamondback moth) assessed as mortality by leaf-dip bioassay method Plutella xylostella 675.6 ug.mL-1
Insecticidal activity against fufenozide-resistant 39th generation of third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 1479108.39 nM
Resistant ratio, ratio of LC50 for backcrossed third-instar larvae of Plutella xylostella (diamondback moth) to LC50 for fufenozide-susceptible third-instar larvae of Plutella xylostella Plutella xylostella 2.33
Resistant ratio, ratio of LC50 for F2 generation of third-instar larvae of Plutella xylostella (diamondback moth) to LC50 for fufenozide-susceptible third-instar larvae of Plutella xylostella Plutella xylostella 2.24
Resistant ratio, ratio of LC50 for F1 pooled generation of third-instar larvae of Plutella xylostella (diamondback moth) to LC50 for fufenozide-susceptible third-instar larvae of Plutella xylostella Plutella xylostella 2.61
Resistant ratio, ratio of LC50 for F'1 generation of third-instar larvae of Plutella xylostella (diamondback moth) to LC50 for fufenozide-susceptible third-instar larvae of Plutella xylostella Plutella xylostella 2.09
Resistant ratio, ratio of LC50 for F1 generation of third-instar larvae of Plutella xylostella (diamondback moth) to LC50 for fufenozide-susceptible third-instar larvae of Plutella xylostella Plutella xylostella 1.76
Resistant ratio, ratio of LC50 for fufenozide-resistant third-instar larvae of Plutella xylostella (diamondback moth) to LC50 for fufenozide-susceptible third-instar larvae of Plutella xylostella Plutella xylostella 302.82
Insecticidal activity against backcrossed third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 6.93 ug.mL-1
Insecticidal activity against F2 generation of third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 5.0 ug.mL-1
Insecticidal activity against F1 pooled generation of third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 5.82 ug.mL-1
Insecticidal activity against F'1 generation of third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 6.22 ug.mL-1
Insecticidal activity against F1 generation of third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 5.23 ug.mL-1
Insecticidal activity against fufenozide-resistant third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 446683592.15 nM Insecticidal activity against fufenozide-resistant third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 675.6 ug.mL-1
Insecticidal activity against fufenozide-susceptible third-instar larvae of Plutella xylostella (diamondback moth) in cabbage leaf assessed as mortality after 96 hr by leaf dip method Plutella xylostella 2.23 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL2228848
PubChem 24781705
SureChEMBL SCHEMBL866221
CONTENTS