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(E)-N''-methyl-N-nitro-N'-[(oxolan-3-yl)methyl]guanidine

AlkaPlorer ID: AK581336

Synonym: None

IUPAC Name: 2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine

Structure

SMILES: CN=C(NCC1CCOC1)N[N+](=O)[O-]

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InChI: InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)

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InChIKey: YKBZOVFACRVRJN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces canus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 202.214

TPSA？: 88.79

MolLogP？: -0.6203999999999994

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase IC50 1000000.0 nM 10.1021/jf200485k
Agaricus bisporus Tyrosinase Inhibition 3.0 % 10.1021/jf200485k
Aleyrodidae Aleyrodidae Activity nan None 10.1021/jf1030778
Alticini Alticini Activity nan None 10.1021/jf1030778
Amphimallon majale Amphimallon majale Activity 0.0 % 10.1002/ps.1835
Amphimallon majale Amphimallon majale Activity 2.2 % 10.1002/ps.1835
Amphimallon majale Amphimallon majale Activity 8.9 % 10.1002/ps.1835
Anas platyrhynchos Anas platyrhynchos LD50 1301.0 mg.kg-1 10.1584/jpestics.30.122
Anomala orientalis Anomala orientalis Activity nan None 10.1002/ps.1835
Aphididae Aphididae Activity nan None 10.1021/jf1030778
Aphis gossypii Aphis gossypii Activity 0.09 mg 10.1002/ps.2207
Aphis gossypii Aphis gossypii Activity 0.11 mg 10.1002/ps.2207
Aphis gossypii Aphis gossypii Activity 0.13 mg 10.1002/ps.2207
Aphis gossypii Aphis gossypii Activity nan None 10.1002/ps.2207
Aphis gossypii Aphis gossypii Inhibition 82.2 % 10.1002/ps.2207
Aphis gossypii Aphis gossypii LC20 0.88 ug ml-1 10.1002/ps.2207
Aphis gossypii Aphis gossypii LC50 1.2 microg/mL2 10.1002/ps.2207
Aphis gossypii Aphis gossypii LC50 1.29 microg/mL2 10.1002/ps.2207
Aphis gossypii Aphis gossypii mortality 100.0 % 10.1021/jf803985r
Aphis gossypii Aphis gossypii RatioLC50 1.07 None 10.1002/ps.2207
Aphis gossypii Aphis gossypii Survival 2.95 day 10.1002/ps.2207
Caelifera Caelifera Activity nan None 10.1021/jf1030778
Cavia porcellus Cavia porcellus Activity nan None 10.1584/jpestics.30.122
Cheumatopsyche Cheumatopsyche EC50 0.0104 ug.mL-1 10.1584/jpestics.G08-26
Chrysomelidae Chrysomelidae Activity nan None 10.1021/jf1030778
Coleoptera Coleoptera Activity nan None 10.1584/jpestics.30.122
Coturnix japonica Coturnix japonica LD50 2000.0 mg.kg-1 10.1584/jpestics.30.122
Curculionidae Curculionidae Activity nan None 10.1021/jf1030778
Cyprinus carpio Cyprinus carpio LD50 100.0 ppm 10.1584/jpestics.30.122
Daphnia magna Daphnia magna EC50 968.3 ug.mL-1 10.1584/jpestics.G08-26
Daphnia pulex Daphnia pulex EC50 1000.0 ppm 10.1584/jpestics.30.122
Dictyoptera Dictyoptera Activity nan None 10.1584/jpestics.30.122
Diptera Diptera Activity nan None 10.1021/jf1030778
Diptera Diptera Activity nan None 10.1584/jpestics.30.122
Drosophila melanogaster Acetylcholine receptor subunit beta-like 2 Activity nan None 10.1021/jf1030778
Drosophila melanogaster Acetylcholine receptor subunit beta-like 2 IC50 5000.0 nM 10.1046/j.1471-4159.2000.751294.x
Glycine max Glycine max Activity nan None 10.1021/jf200485k
Gossypium hirsutum Gossypium hirsutum Activity nan None 10.1021/jf200485k
Hemiptera Hemiptera Activity nan None 10.1584/jpestics.30.122
Laodelphax striatellus Laodelphax striatellus Activity 70.0 % 10.1021/jf1030778
Laodelphax striatellus Laodelphax striatellus Activity nan None 10.1021/jf1030778
Laodelphax striatellus Laodelphax striatellus Activity nan None 10.1584/jpestics.30.122
Laodelphax striatellus Laodelphax striatellus LC70 0.1 ppm 10.1584/jpestics.29.348
Laodelphax striatellus Laodelphax striatellus LC70 0.1 ppm 10.1584/jpestics.29.356
Lepidoptera Lepidoptera Activity nan None 10.1021/jf1030778
Lepidoptera Lepidoptera Activity nan None 10.1584/jpestics.30.122
Leptocorisa acuta Leptocorisa acuta Activity nan None 10.1021/jf1030778
Maladera castanea Maladera castanea Activity nan None 10.1002/ps.1835
Miridae Miridae Activity nan None 10.1021/jf1030778
Mus musculus Mus musculus Activity nan None 10.1584/jpestics.30.122
Mus musculus Mus musculus LD50 2275.0 mg.kg-1 10.1584/jpestics.30.122
Mus musculus Mus musculus LD50 2450.0 mg.kg-1 10.1584/jpestics.30.122
Myzus persicae Myzus persicae LC50 10.0 ppm 10.1002/ps.3413
Myzus persicae Myzus persicae LC50 538.0 ppm 10.1002/ps.3413
Nephotettix cincticeps Nephotettix cincticeps Activity 70.0 % 10.1021/jf1030778
Nephotettix cincticeps Nephotettix cincticeps Activity nan None 10.1021/jf1030778
Nephotettix cincticeps Nephotettix cincticeps Activity nan None 10.1584/jpestics.30.122
Nephotettix cincticeps Nephotettix cincticeps LC70 0.1 ppm 10.1584/jpestics.29.348
Nephotettix cincticeps Nephotettix cincticeps LC70 0.1 ppm 10.1584/jpestics.29.356
Oryctolagus cuniculus Aldehyde oxidase IC50 1000000.0 nM 10.1021/jf200485k
Oryctolagus cuniculus Aldehyde oxidase Inhibition 3.0 % 10.1021/jf200485k
Oryctolagus cuniculus Oryctolagus cuniculus Activity nan None 10.1584/jpestics.30.122
Periplaneta americana Periplaneta americana Activity nan None 10.1021/jf1030778
Plutella xylostella Plutella xylostella Activity nan None 10.1021/jf1030778
Popillia japonica Popillia japonica Activity 54.4 % 10.1002/ps.1835
Popillia japonica Popillia japonica Activity 69.3 % 10.1002/ps.1835
Popillia japonica Popillia japonica Activity 86.2 % 10.1002/ps.1835
Pseudococcidae Pseudococcidae Activity nan None 10.1021/jf1030778
Rattus norvegicus Rattus norvegicus Activity nan None 10.1584/jpestics.30.122
Rattus norvegicus Rattus norvegicus LD50 2000.0 mg.kg-1 10.1584/jpestics.30.122
Rattus norvegicus Rattus norvegicus LD50 2804.0 mg.kg-1 10.1584/jpestics.30.122
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity nan None 10.1584/jpestics.30.122
Siphonaptera Siphonaptera Activity nan None 10.1021/jf1030778
Termitoidae Termitoidae Activity nan None 10.1021/jf1030778
Thysanoptera Thysanoptera Activity nan None 10.1021/jf1030778
Thysanoptera Thysanoptera Activity nan None 10.1584/jpestics.30.122
Vitis vinifera Vitis vinifera Activity nan None 10.1021/jf200485k
Zea mays Zea mays Activity nan None 10.1021/jf200485k
None ADMET Activity nan None 10.1584/jpestics.30.122
None No relevant target log KOW -0.644 None 10.1584/jpestics.G08-26
None No relevant target LogP -0.64 None 10.1021/jf1030778
None No relevant target LogP -0.549 None 10.1584/jpestics.30.122
None No relevant target Solubility 40000.0 ug.mL-1 10.1584/jpestics.30.122
None No relevant target Solubility 54300.0 ug.mL-1 10.1021/jf1030778
None Unchecked Activity nan None 10.1584/jpestics.27.374
None Unchecked EC50 223872.11 nM 10.1584/jpestics.27.374
None Unchecked IC50 5000.0 nM 10.1046/j.1471-4159.2000.751294.x
None Unchecked IC50 1000000.0 nM 10.1021/jf200485k
None Unchecked Imax 1.04 % 10.1584/jpestics.27.374
None Unchecked Inhibition 6.0 % 10.1021/jf200485k
None Unchecked Ki 3.2 nM 10.1002/ps.3413
None Unchecked Ki 76.0 nM 10.1021/jf803985r
None Unchecked Ki 336.0 nM 10.1002/ps.3413
None Unchecked Ratio 54.0 None 10.1002/ps.3413
None Unchecked Ratio EC50 4.97 None 10.1584/jpestics.G08-26
None Unchecked Ratio IC50 5.6 None 10.1046/j.1471-4159.2000.751294.x

Metabolism Information