methyl (2Z)-2-(methoxyimino)-2-[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetate
AlkaPlorer ID: AK479966
Synonym: None
IUPAC Name: methyl (2Z)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Structure
SMILES: CO/N=C(/C(=O)OC)C1=CC=CC=C1CO/N=C(\C)C1=CC=CC(C(F)(F)F)=C1
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+
InChIKey: ONCZDRURRATYFI-TVJDWZFNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Apis cerana | Apis | Apidae | Hymenoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 408.376
TPSA？: 69.48
MolLogP？: 4.169700000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Blumeria graminis | Blumeria graminis | Activity | 75.0 | % | 10.1021/jf800651z |
| Blumeria graminis | Blumeria graminis | Activity | 98.0 | % | 10.1021/jf800651z |
| Blumeria graminis | Blumeria graminis | Activity | 100.0 | % | 10.1021/jf800651z |
| Blumeria graminis | Blumeria graminis | Inhibition | 100.0 | % | 10.1021/jf800273t |
| Botrytis cinerea | Botrytis cinerea | EC50 | 0.01 | ug.mL-1 | 10.1002/ps.3281 |
| Botrytis cinerea | Botrytis cinerea | EC50 | 100.0 | ug.mL-1 | 10.1002/ps.3281 |
| Botrytis cinerea | Botrytis cinerea | GI | nan | None | 10.1002/ps.3281 |
| Botrytis cinerea | Botrytis cinerea | Inhibition | 100.0 | % | 10.1021/jf800273t |
| Botrytis cinerea | Botrytis cinerea | MIC | 1.0 | ug.mL-1 | 10.1002/ps.3281 |
| Botrytis cinerea | Botrytis cinerea | Ratio EC50 | 1000.0 | None | 10.1002/ps.3281 |
| Cercospora beticola | Cercospora beticola | EC50 | 0.001 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 0.004 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 0.005 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 0.006 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 1.0 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 2.364 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 3.25 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 3.269 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 3.625 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 4.236 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 4.539 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 4.965 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 4.978 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 5.484 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 5.893 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.064 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.093 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.359 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.657 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.785 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.788 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.845 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 6.864 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.023 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.303 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.495 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.618 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.64 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.651 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 7.79 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 8.15 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 8.365 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 8.456 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 8.547 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 8.562 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 8.833 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 9.544 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 13.66 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 13.85 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 19.86 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 25.95 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 29.72 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 35.48 | ug.mL-1 | 10.1002/ps.3358 |
| Cercospora beticola | Cercospora beticola | EC50 | 39.38 | ug.mL-1 | 10.1002/ps.3358 |
| Colletotrichum lagenaria | Colletotrichum lagenaria | Inhibition | 60.0 | % | 10.1021/jf800273t |
| Erysiphe necator | Erysiphe necator | Activity | 0.06 | 10'3/cm2 | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 0.2 | 10'3/cm2 | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 1.0 | 10'3/cm2 | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 2.1 | 10'3/cm2 | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 3.0 | % | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 24.0 | % | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 31.8 | % | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | Activity | 60.0 | % | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | AUDPC | 0.0 | None | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | AUDPC | 6.0 | None | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | AUDPC | 86.0 | None | 10.1002/ps.2029 |
| Erysiphe necator | Erysiphe necator | AUDPC | 459.0 | None | 10.1002/ps.2029 |
| Fulvia fulva | Fulvia fulva | Activity | 45.7 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 60.1 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 60.9 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 66.7 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 69.9 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 72.8 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 76.1 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 85.3 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 88.2 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 89.0 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 90.9 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 93.3 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 93.9 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 94.0 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 94.5 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Activity | 96.5 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Inhibition | 23.2 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Inhibition | 55.7 | % | 10.1016/j.cropro.2006.08.005 |
| Fulvia fulva | Fulvia fulva | Inhibition | 85.1 | % | 10.1016/j.cropro.2006.08.005 |
| Homo sapiens | Androgen Receptor | Potency | 14125.4 | nM | None |
| Homo sapiens | Aryl hydrocarbon receptor | Potency | 63095.7 | nM | None |
| Homo sapiens | Bile acid receptor FXR | Potency | 25118.9 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 5011.9 | nM | None |
| Homo sapiens | Estrogen receptor alpha | Potency | 6309.6 | nM | None |
| Homo sapiens | Estrogen receptor alpha | Potency | 44668.4 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 8634.9 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Potency | 35481.3 | nM | None |
| Homo sapiens | Retinoid X receptor alpha | Potency | 19952.6 | nM | None |
| Homo sapiens | Retinoid X receptor alpha | Potency | 28183.8 | nM | None |
| Homo sapiens | Vitamin D receptor | Potency | 35481.3 | nM | None |
| Pseudoperonospora cubensis | Pseudoperonospora cubensis | Inhibition | 50.0 | % | 10.1021/jf800273t |
| Pseudopyrenochaeta lycopersici | Pseudopyrenochaeta lycopersici | Activity | 48.7 | % | 10.1016/j.cropro.2005.06.008 |
| Pseudopyrenochaeta lycopersici | Pseudopyrenochaeta lycopersici | Activity | 93.3 | % | 10.1016/j.cropro.2005.06.008 |
| Pyricularia oryzae | Pyricularia oryzae | Inhibition | 100.0 | % | 10.1021/jf800273t |
| Solanum lycopersicum | Solanum lycopersicum | Activity | nan | None | 10.1016/j.cropro.2005.06.008 |
| Solanum melongena | Solanum melongena | Activity | nan | None | 10.1016/j.cropro.2005.06.008 |
| Verticillium dahliae | Verticillium dahliae | Activity | 17.6 | % | 10.1016/j.cropro.2005.06.008 |
| Verticillium dahliae | Verticillium dahliae | Activity | 78.1 | % | 10.1016/j.cropro.2005.06.008 |
| Verticillium dahliae | Verticillium dahliae | Activity | nan | None | 10.1016/j.cropro.2005.06.008 |
| None | Molecular identity unknown | Potency | 10000.0 | nM | None |
| None | Molecular identity unknown | Potency | 31622.8 | nM | None |