TRIFLOXYSTROBIN

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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 ONCZDRURRATYFI-TVJDWZFNSA-N
Smiles CO\N=C(\C(=O)OC)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19F3N2O4
Molecular Weight 408.37
AlogP 4.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 69.48
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 29.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Colletotrichum lagenaria infected in compound pre-treated cucumber plants assessed as inhibition of fungal growth at 6.25 mg/ml measured 3 days post compound treatment Colletotrichum lagenaria 60.0 %
Fungicidal activity against Blumeria graminis grown on compound pre-treated wheat seedlings assessed as inhibition of fungal growth at 6.25 mg/ml measured 7 days post fungal inoculation Blumeria graminis 100.0 %
Fungicidal activity against Pseudoperonospora cubensis grown on compound pre-treated cucumber leaves assessed as inhibition of fungal growth at 6.25 mg/ml measured 5 days post compound treatment Pseudoperonospora cubensis 50.0 %
Fungicidal activity against Botryotinia fuckeliana assessed as inhibition of mycelial growth at 25 mg/ml measured after 48 hr Botryotinia fuckeliana 100.0 %
Fungicidal activity against Magnaporthe oryzae assessed as inhibition of mycelial growth at 25 mg/ml measured after 48 hr Magnaporthe oryzae 100.0 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 20 ug a.i./ml sprayed 48 hr post-inoculation measured after 22 days relative to control Passalora fulva 94.5 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 20 ug a.i./ml sprayed 24 hr post-inoculation measured after 22 days relative to control Passalora fulva 93.3 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as inhibition of sporulation at 20 ug a.i./ml applied at 15 days post-inoculation after appearance of symptoms followed by incubation in growth chamber for 72 hr relative to control Passalora fulva 85.1 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as inhibition of sporulation at 10 ug a.i./ml applied at 15 days post-inoculation after appearance of symptoms followed by incubation in growth chamber for 72 hr relative to control Passalora fulva 55.7 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as inhibition of sporulation at 5 ug a.i./ml applied at 15 days post-inoculation after appearance of symptoms followed by incubation in growth chamber for 72 hr relative to control Passalora fulva 23.2 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 10 ug a.i./ml sprayed 96 hr post-inoculation measured after 22 days relative to control Passalora fulva 60.1 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 10 ug a.i./ml sprayed 48 hr post-inoculation measured after 22 days relative to control Passalora fulva 76.1 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 10 ug a.i./ml sprayed 24 hr post-inoculation measured after 22 days relative to control Passalora fulva 89.0 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 5 ug a.i./ml sprayed 96 hr post-inoculation measured after 22 days relative to control Passalora fulva 45.7 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 5 ug a.i./ml sprayed 48 hr post-inoculation measured after 22 days relative to control Passalora fulva 60.9 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 5 ug a.i./ml sprayed 24 hr post-inoculation measured after 22 days relative to control Passalora fulva 69.9 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 20 ug a.i./ml sprayed 24 hr prior to inoculation measured after 22 days relative to control Passalora fulva 96.5 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 20 ug a.i./ml sprayed 48 hr prior to inoculation measured after 22 days relative to control Passalora fulva 96.5 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 20 ug a.i./ml sprayed 96 hr prior to inoculation measured after 22 days relative to control Passalora fulva 94.0 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 10 ug a.i./ml sprayed 24 hr prior to inoculation measured after 22 days relative to control Passalora fulva 93.9 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 10 ug a.i./ml sprayed 48 hr prior to inoculation measured after 22 days relative to control Passalora fulva 90.9 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 10 ug a.i./ml sprayed 96 hr prior to inoculation measured after 22 days relative to control Passalora fulva 85.3 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 5 ug a.i./ml sprayed 24 hr prior to inoculation measured after 22 days relative to control Passalora fulva 88.2 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 5 ug a.i./ml sprayed 48 hr prior to inoculation measured after 22 days relative to control Passalora fulva 85.3 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 5 ug a.i./ml sprayed 96 hr prior to inoculation measured after 22 days relative to control Passalora fulva 72.8 %
Antifungal activity against Passalora fulva infected tomato cultivar Alma F1 plants grown in growth chamber assessed as reduction in lesions on leaf at 20 ug a.i./ml sprayed 96 hr post-inoculation measured after 22 days relative to control Passalora fulva 66.7 %
Phytotoxicity in Solanum lycopersicum (tomato) plant assessed as plant stunting at 87.5 to 100 mg/l after 120 days under greenhouse condition Solanum lycopersicum None
Phytotoxicity in Solanum melongena (eggplant) assessed as plant stunting at 87.5 to 100 mg/l after 80 days under greenhouse condition Solanum melongena None
Phytotoxicity in Solanum melongena (eggplant) assessed as leaf chlorosis at 100 to 250 mg/l after 80 to 120 days under field condition Solanum melongena None
Fungicidal activity against Verticillium dahliae infected eggplant assessed as vascular discoloration at 100 to 250 mg/l after 120 days under field condition relative to untreated control Verticillium dahliae None
Fungicidal activity against Verticillium dahliae infected eggplant assessed as reduction in severity of external symptoms at 100 to 250 mg/l after 80 to 120 days under field condition relative to untreated control Verticillium dahliae 17.6 %
Phytotoxicity in Solanum lycopersicum (tomato) plant assessed as leaf chlorosis at 100 to 250 mg/l after 120 days under field condition Solanum lycopersicum None
Fungicidal activity against Pyrenochaeta lycopersici infected tomato plant assessed as diseased root surface at 100 to 250 mg/l after 100 days under field condition relative to untreated control Pyrenochaeta lycopersici 48.7 %
Fungicidal activity against Verticillium dahliae infected eggplant assessed as wilted leaves at 87.5 to 100 mg/l after 80 days under greenhouse condition relative to untreated control Verticillium dahliae 78.1 %
Fungicidal activity against Pyrenochaeta lycopersici infected tomato plant assessed as diseased root surface at 87.5 to 100 mg/l after 120 days under greenhouse condition relative to untreated control Pyrenochaeta lycopersici 93.3 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 1.5 ppm measured after 1 or 2 weeks Blumeria graminis 75.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 3.1 ppm measured after 1 or 2 weeks Blumeria graminis 98.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 6.2 ppm measured after 1 or 2 weeks Blumeria graminis 100.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 500 ppm measured after 1 or 2 weeks Blumeria graminis 100.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 100 ppm measured after 1 or 2 weeks Blumeria graminis 100.0 %
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.625 g a.i./l applied 13 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 47.6 x 10'3 cm'-2) Erysiphe necator 1.0 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.625 g a.i./l applied 13 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 654) Erysiphe necator 6.0
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.625 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 1 by leaf-disk method relative to untreated-control Erysiphe necator 60.0 %
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.625 g a.i./l applied 4 days post-inoculation measured immediately during cycle 1 by leaf-disk method relative to untreated-control Erysiphe necator 24.0 %
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.625 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 44.4 x 10'3 cm'-2) Erysiphe necator 0.06 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.625 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 844) Erysiphe necator 0.0
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.625 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 1 by leaf-disk method (Rvb = 35.9 x 10'3 cm'-2) Erysiphe necator 0.2 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.625 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 1 by leaf-disk method (Rvb = 695.6) Erysiphe necator 459.0
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.625 g a.i./l applied 48 hr post-inoculation measured after 14 days by leaf-disk method relative to untreated-control Erysiphe necator 31.8 %
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.625 g a.i./l applied 48 hr post-inoculation measured after 7 days by leaf-disk method relative to untreated-control Erysiphe necator 3.0 %
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.625 g a.i./l applied 48 hr post-inoculation measured after 14 days by leaf-disk method (Rvb = 43.5 x 10'3 cm'-2) Erysiphe necator 2.1 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.625 g a.i./l applied 48 hr post-inoculation measured after 14 days by leaf-disk method (Rvb = 394) Erysiphe necator 86.0
Resistance index, ratio of EC50 for QoI fungicide-resistant Botryotinia fuckeliana lab isolates to EC50 for Botryotinia fuckeliana SAS405 Botryotinia fuckeliana 1000.0
Resistance index, ratio of EC50 for QoI fungicide-resistant Botryotinia fuckeliana lab isolates to EC50 for Botryotinia fuckeliana SAS56 Botryotinia fuckeliana 1000.0
Antifungal activity against QoI fungicide-resistant Botryotinia fuckeliana lab isolates assessed as inhibition of colony growth Botryotinia fuckeliana 100.0 ug.mL-1
Resistance index, ratio of EC50 for QoI fungicide-resistant Botryotinia fuckeliana field isolates expressing cytb G143A mutant gene to EC50 for Botryotinia fuckeliana SAS405 Botryotinia fuckeliana 1000.0
Resistance index, ratio of EC50 for QoI fungicide-resistant Botryotinia fuckeliana field isolates expressing cytb G143A mutant gene to EC50 for Botryotinia fuckeliana SAS56 Botryotinia fuckeliana 1000.0
Antifungal activity against QoI fungicide-resistant Botryotinia fuckeliana field isolates expressing cytb G143A mutant gene assessed as inhibition of colony growth Botryotinia fuckeliana 100.0 ug.mL-1
Antifungal activity against Botryotinia fuckeliana SAS56 assessed as complete inhibition of colony growth at 1 mg/ml Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana SAS405 assessed as inhibition of colony growth Botryotinia fuckeliana 0.01 ug.mL-1 Antifungal activity against Botryotinia fuckeliana SAS405 assessed as inhibition of colony growth Botryotinia fuckeliana 1.0 ug.mL-1
Antifungal activity against Botryotinia fuckeliana SAS56 assessed as inhibition of colony growth Botryotinia fuckeliana 1.0 ug.mL-1 Antifungal activity against Botryotinia fuckeliana SAS56 assessed as inhibition of colony growth Botryotinia fuckeliana 0.01 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1046-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 8.37 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1046-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 5.48 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1045-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.02 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1044-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 8.56 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1044-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 13.85 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-9-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.004 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-10-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.001 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-12-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.005 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-13-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.006 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-19-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.005 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-101-5-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.006 ug.mL-1
Antifungal activity against Cercospora beticola isolate 98-150-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.004 ug.mL-1
Antifungal activity against Cercospora beticola isolate 99-233-3-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.004 ug.mL-1
Antifungal activity against Cercospora beticola isolate 99-521-29-M expressing cytb with glycine at codon 143 assessed as reduction in spore germination Cercospora beticola 0.005 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1003-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 1.0 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1004-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.66 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1005-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 9.54 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1005-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 3.25 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1006-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 8.46 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1007-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.65 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1007-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.85 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1008-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.5 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1009-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 39.38 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1014-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 4.54 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1015-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.3 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1015-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.79 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1016-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 5.89 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1022-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.86 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1022-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 4.98 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1026-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 25.95 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1026-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 8.55 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1027-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 29.72 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1027-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.06 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1028-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.62 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1028-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 4.97 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1035-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.36 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1036-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 3.63 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1036-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 8.15 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1037-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.79 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1037-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 4.24 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1038-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 19.86 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1038-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 35.48 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1039-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.79 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1040-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 7.64 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1040-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 13.66 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1041-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 6.09 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1042-1 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 8.83 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1042-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 2.36 ug.mL-1
Antifungal activity against Cercospora beticola isolate 11-1043-2 expressing cytb with alanine at codon 143 assessed as reduction in spore germination Cercospora beticola 3.27 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL1897483
PubChem 11664966
SureChEMBL SCHEMBL19148
ZINC ZINC13827862
CONTENTS