Synonyms
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 NAHTXVIXCMUDLF-RFNFAWMESA-N
Smiles CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]4(C)[C@@H]3C(=O)[C@H](OC(=O)C)[C@@]5(C)[C@@H](C[C@H]6O[C@@]456)c7cocc7
InChI
InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H38O11
Molecular Weight 574.62
AlogP -0.56
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 165.26
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 41.0
Assay Description Organism Bioactivity Reference
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation measured after 36 days by leaf-dipping method Mythimna separata 40.7 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation measured after 24 days by leaf-dipping method Mythimna separata 35.7 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation measured after 12 days by leaf-dipping method Mythimna separata 21.4 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) in wheat leaves at 1 mg/mL after 33 days by leaf-dipping method Mythimna separata 44.8 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) in wheat leaves at 1 mg/mL after 20 days by leaf-dipping method Mythimna separata 13.8 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) in wheat leaves at 1 mg/mL after 5 days by leaf-dipping method Mythimna separata 6.7 %
Toxicity in Artemia salina (brine shrimp) at 28 degC after 48 hr Artemia salina 1.0 ug.mL-1
Antifeedant activity against Mythimna separata (Oriental armyworm) larvae assessed as antifeedant index by area of the leaf consumed Mythimna separata 97.5 %
Feeding deterrent activity against Tribolium castaneum (red flour beetle) adults using wheat flour assessed as inhibition of insect feeding measured after 3 days Tribolium castaneum 94.3 ppm
Insecticidal activity against Mythimna separata (Oriental armyworm) in wheat leaves assessed as mortality rate at 1 mg/mL at 25 degC measured after 35 days by leaf-dipping method relative to control Mythimna separata 48.1 %
Insecticidal activity against Mythimna separata (Oriental armyworm) in wheat leaves assessed as mortality rate at 1 mg/mL at 25 degC measured after 25 days by leaf-dipping method relative to control Mythimna separata 33.3 %
Insecticidal activity against Mythimna separata (Oriental armyworm) in wheat leaves assessed as mortality rate at 1 mg/mL at 25 degC measured after 10 days by leaf-dipping method relative to control Mythimna separata 27.6 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 30 days by leaf-dipping method Mythimna separata 46.4 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 20 days by leaf-dipping method Mythimna separata 34.5 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 10 days by leaf-dipping method Mythimna separata 30.0 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 33 days by leaf-dipping method Mythimna separata 50.0 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 20 days by leaf-dipping method Mythimna separata 31.0 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 10 days by leaf-dipping method Mythimna separata 30.0 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 35 days by leaf-dipping method Mythimna separata 48.0 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 20 days by leaf-dipping method Mythimna separata 34.6 %
In vivo insecticidal activity against pre-third-instar larval stage of Mythimna separata (Oriental armyworm) in corn leaves assessed as corrected mortality rate at 1 mg/ml treated for 3 secs before larval infestation on corn leaves measured after 10 days by leaf-dipping method Mythimna separata 17.9 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as corrected mortality at 1 mg/ml measured after 35 days by leaf-dipping method Mythimna separata 53.8 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as corrected mortality at 1 mg/ml measured after 20 days by leaf-dipping method Mythimna separata 33.3 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) in compound treated fresh corn leaves assessed as corrected mortality at 1 mg/ml measured after 10 days by leaf-dipping method Mythimna separata 24.1 %
Insecticidal activity against Mythimna separata (Oriental armyworm) pre-third-instar larvae fed on 1 mg/ml compound pre-treated wheat leaves assessed as insect mortality by leaf-dipping method Mythimna separata None
Insecticidal activity against Mythimna separata (Oriental armyworm) pre-third-instar larvae fed on 1 mg/ml compound pre-treated wheat leaves assessed as insect mortality measured after 34 days by leaf-dipping method Mythimna separata 51.7 %
Insecticidal activity against Mythimna separata (Oriental armyworm) pre-third-instar larvae fed on 1 mg/ml compound pre-treated wheat leaves assessed as insect mortality measured after 20 days by leaf-dipping method Mythimna separata 27.6 %
Insecticidal activity against Mythimna separata (Oriental armyworm) pre-third-instar larvae fed on 1 mg/ml compound pre-treated wheat leaves assessed as insect mortality measured after 10 days by leaf-dipping method Mythimna separata 10.0 %
Insecticidal activity against Spodoptera litura third-instar larvae fed on compound pre-treated Ricinus communis L. leaves assessed as insect mortality at 1 mg/ml measured 12 days after compound treatment Spodoptera litura 100.0 %
Antifeedant activity against Spodoptera litura third-instar larvae fed on compound pre-treated castor-oil plant leaves assessed as antifeedant rate at 1 mg/ml after 48 hr Spodoptera litura 90.6 %
Antifeedant activity against Spodoptera litura third-instar larvae fed on compound pre-treated castor-oil plant leaves assessed as antifeedant rate at 1 mg/ml after 24 hr Spodoptera litura 87.1 %
Insecticidal activity against Brontispa longissima fourth-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 72 hr after compound treatment Brontispa longissima 73.33 %
Insecticidal activity against Brontispa longissima fourth-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 48 hr after compound treatment Brontispa longissima 66.67 %
Insecticidal activity against Brontispa longissima fourth-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 24 hr after compound treatment Brontispa longissima 60.0 %
Insecticidal activity against Brontispa longissima fourth-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 12 hr after compound treatment Brontispa longissima 53.33 %
Insecticidal activity against Brontispa longissima third-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 72 hr after compound treatment Brontispa longissima 83.33 %
Insecticidal activity against Brontispa longissima third-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 48 hr after compound treatment Brontispa longissima 73.33 %
Insecticidal activity against Brontispa longissima third-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 24 hr after compound treatment Brontispa longissima 63.33 %
Insecticidal activity against Brontispa longissima third-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 12 hr after compound treatment Brontispa longissima 53.33 %
Insecticidal activity against Brontispa longissima second-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 72 hr after compound treatment Brontispa longissima 100.0 %
Insecticidal activity against Brontispa longissima second-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 48 hr after compound treatment Brontispa longissima 100.0 %
Insecticidal activity against Brontispa longissima second-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 24 hr after compound treatment Brontispa longissima 100.0 %
Insecticidal activity against Brontispa longissima second-instar larvae fed on compound pre-treated Cocos nucifera L. leaves assessed as insect mortality at 50 ug/ml measured 12 hr after compound treatment Brontispa longissima 96.67 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean emergence at 25 ug/ml in artificial diet (Rvb = 83.3 %) Spodoptera frugiperda 4.17 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean emergence at 52 ug/ml in artificial diet (Rvb = 83.3 %) Spodoptera frugiperda 0.0 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean pupation at 25 ug/ml in artificial diet (Rvb = 87.5 %) Spodoptera frugiperda 4.17 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean pupation at 52 ug/ml in artificial diet (Rvb = 87.5 %) Spodoptera frugiperda 4.17 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean emergence days at 5 ug/ml in artificial diet (Rvb = 33 days) Spodoptera frugiperda 36.0 day
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean emergence days at 25 ug/ml in artificial diet (Rvb = 33 days) Spodoptera frugiperda 36.0 day
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean emergence at 5 ug/ml in artificial diet (Rvb = 83.3 %) Spodoptera frugiperda 16.7 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean time to pupation at 5 ug/ml in artificial diet (Rvb = 22 days) Spodoptera frugiperda 23.5 day
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean time to pupation at 25 ug/ml in artificial diet (Rvb = 22 days) Spodoptera frugiperda 24.0 day
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean time to pupation at 52 ug/ml in artificial diet (Rvb = 22 days) Spodoptera frugiperda 24.0 day
Antifeedant activity against adult of Tribolium castaneum (red flour beetle) after 3 days Tribolium castaneum 66.0 ppm
Antifeedant activity against larvae of Tribolium castaneum (red flour beetle) after 3 days Tribolium castaneum 48.0 ppm
Antifeedant activity against adult of Sitophilus zeamais after 3 days Sitophilus zeamais 100.0 ppm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight of pupae at 5 ug/ml in artificial diet (Rvb = 281.5 +/- 10.3 mg) Spodoptera frugiperda 95.0 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight of pupae at 25 ug/ml in artificial diet (Rvb = 281.5 +/- 10.3 mg) Spodoptera frugiperda 45.1 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight of pupae at 52 ug/ml in artificial diet (Rvb = 281.5 +/- 10.3 mg) Spodoptera frugiperda 38.0 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean pupation at 5 ug/ml in artificial diet (Rvb = 87.5 %) Spodoptera frugiperda 17.9 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean length at 52 ug/ml in artificial diet measured after 7 days (Rvb = 28 +/- 4.1 mg) Spodoptera frugiperda 2.8 mm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean length at 5 ug/ml in artificial diet measured after 7 days (Rvb = 28 +/- 4.1 mg) Spodoptera frugiperda 7.0 mm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean length at 25 ug/ml in artificial diet measured after 7 days (Rvb = 28 +/- 4.1 mg) Spodoptera frugiperda 6.1 mm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight gain at 5 ug/ml in artificial diet measured after 7 days (Rvb = 469.5 +/- 6.59 mg) Spodoptera frugiperda 21.5 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight gain at 25 ug/ml in artificial diet measured after 7 days (Rvb = 469.5 +/- 6.59 mg) Spodoptera frugiperda 17.0 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight gain at 52 ug/ml in artificial diet measured after 7 days (Rvb = 469.5 +/- 6.59 mg) Spodoptera frugiperda 11.2 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mortality measured after 7 days Spodoptera frugiperda 7.0 ppm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mortality at 52 ug/ml in artificial diet measured after 7 days (Rvb = 8.33%) Spodoptera frugiperda 89.0 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mortality at 25 ug/ml in artificial diet measured after 7 days (Rvb = 8.33%) Spodoptera frugiperda 70.0 %
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean length at 25 ug/ml in artificial diet measured after 7 days (Rvb = 0.95 +/- 0.2 cm) Spodoptera frugiperda 0.77 cm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean length at 5 ug/ml in artificial diet measured after 7 days (Rvb = 0.95 +/- 0.2 cm) Spodoptera frugiperda 0.98 cm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight gain at 52 ug/ml in artificial diet measured after 7 days (Rvb = 75.5 +/- 8.24 mg) Spodoptera frugiperda 1.0 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight gain at 25 ug/ml in artificial diet measured after 7 days (Rvb = 75.5 +/- 8.24 mg) Spodoptera frugiperda 2.3 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean weight gain at 5 ug/ml in artificial diet measured after 7 days (Rvb = 75.5 +/- 8.24 mg) Spodoptera frugiperda 5.1 mg
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mean length at 52 ug/ml in artificial diet measured after 7 days (Rvb = 0.95 +/- 0.2 cm) Spodoptera frugiperda 0.57 cm
Insecticidal activity against Spodoptera frugiperda (fall armyworm) assessed as mortality at 5 ug/ml in artificial diet measured after 7 days (Rvb = 8.33%) Spodoptera frugiperda 40.0 %
Antifeedant activity against larvae of Spodoptera eridania in Cucurbita maxima leaves at 0.25 ug/cm2 after 24 hr by leaf disk choice test Spodoptera eridania 45.8 %
Antifeedant activity against larvae of Spodoptera eridania in Cucurbita maxima leaves at 0.5 ug/cm2 after 24 hr by leaf disk choice test Spodoptera eridania 58.7 %
Antifeedant activity against larvae of Spodoptera eridania in Cucurbita maxima leaves at 1 ug/cm2 after 24 hr by leaf disk choice test Spodoptera eridania 65.1 %
Antifeedant activity against larvae of Spodoptera eridania in Cucurbita maxima leaves at 4 ug/cm2 after 24 hr by leaf disk choice test Spodoptera eridania 71.8 %
Antifeedant activity against larvae of Spodoptera eridania in Cucurbita maxima leaves at 10 ug/cm2 after 24 hr by leaf disk choice test Spodoptera eridania 79.3 %
Antifeedant activity against larvae of Spodoptera eridania in Cucurbita maxima leaves at 14 ug/cm2 after 24 hr by leaf disk choice test Spodoptera eridania 87.8 %
Antifeedant activity against larvae of Epilachna paenulata in Cucurbita maxima leaves at 4 ug/cm2 after 24 hr by leaf disc choice test Epilachna 54.8 %
Antifeedant activity against larvae of Epilachna paenulata in Cucurbita maxima leaves at 8 ug/cm2 after 24 hr by leaf disc choice test Epilachna 78.2 %
Antifeedant activity against larvae of Epilachna paenulata in Cucurbita maxima leaves at 10 ug/cm2 after 24 hr by leaf disc choice test Epilachna 90.7 %
Antifeedant activity against third-instar larval stage of Epilachna paenulata infested cucurbita maxima leaves assessed as feeding reduction after 24 hr by leaf disk choice assay Epilachna 3.69 microg/cm2
Antifeedant activity against Tribolium castaneum (red flour beetle) assessed as reduction of food consumption after 3 days by flour disk bioassay relative to control Tribolium castaneum 66.0 ppm
Antifeedant activity against third-instar Epilachna paenulata measured assessed per cm2 leaf disk Epilachna 3.69 ug
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) assessed as corrected mortality rate at 1 mg/ml measured after 35 days by the leaf-dipping method Mythimna separata 50.0 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) assessed as corrected mortality rate at 1 mg/ml measured after 20 days by the leaf-dipping method Mythimna separata 20.0 %
Insecticidal activity against pre-third-instar larvae of Mythimna separata (Oriental armyworm) assessed as corrected mortality rate at 1 mg/ml measured after 10 days by the leaf-dipping method Mythimna separata 10.0 %

Cross References

Resources Reference
ChEMBL CHEMBL503044
PubChem 9851101
ZINC ZINC08214370