DIPHENAMIDE

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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 QAHFOPIILNICLA-UHFFFAOYSA-N
Smiles CN(C)C(=O)C(c1ccccc1)c2ccccc2
InChI
InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17NO
Molecular Weight 239.31
AlogP 2.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Inhibition of Saccharomyces cerevisiae INVSc1 ELO at 100 uM after 18 to 20 hr by GC/MS analysis Saccharomyces cerevisiae None
Growth inhibition of Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr Saccharomyces cerevisiae None
Herbicidal activity against Arabidopsis thaliana assessed as apperance of fiddle head phenotype Arabidopsis thaliana None
Inhibition of Arbidopsis thaliana C-terminal His-tagged At5g43760 expressed in Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr by GC/MS analysis Arabidopsis thaliana None
Inhibition of Arbidopsis thaliana C-terminal His-tagged At1g04220 expressed in Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr by GC/MS analysis Arabidopsis thaliana None
Inhibition of Arbidopsis thaliana C-terminal His-tagged CER60 expressed in Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr by GC/MS analysis Arabidopsis thaliana None
Inhibition of Arbidopsis thaliana C-terminal His-tagged KCS2 expressed in Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr by GC/MS analysis Arabidopsis thaliana None
Inhibition of Arbidopsis thaliana C-terminal His-tagged KCS1 expressed in Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr by GC/MS analysis Arabidopsis thaliana None
Inhibition of Arbidopsis thaliana C-terminal His-tagged FAE1 expressed in Saccharomyces cerevisiae INVSc1 at 100 uM after 18 to 20 hr by GC/MS analysis Arabidopsis thaliana None
Herbicidal activity against Cyperus rotundus assessed as total dry weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Cyperus rotundus 4.79 MT/ha
Herbicidal activity against Malva sylvestris assessed as total dry weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Malva sylvestris 4.79 MT/ha
Herbicidal activity against Chenopodium murale assessed as total dry weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Chenopodium murale 4.79 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Cyperus rotundus 21.5 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Malva sylvestris 21.5 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Chenopodium murale 21.5 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 3.75 kg/ha applied as spray before seed sowing (Rvb = 7.71 MT/ha) Allium cepa 5.16 MT/ha
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]malonate assessed as inhibition of [14C]-labeled 18C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Cucumis sativus None
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]malonate assessed as inhibition of [14C]-labeled 18C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Hordeum vulgare None
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]malonate assessed as inhibition of [14C]-labeled 24C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Cucumis sativus None
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]malonate assessed as inhibition of [14C]-labeled 24C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Hordeum vulgare None
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]malonate assessed as inhibition of [14C]-labeled 22C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Cucumis sativus None
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]malonate assessed as inhibition of [14C]-labeled 22C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Hordeum vulgare None
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]malonate assessed as inhibition of [14C]-labeled 20C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Cucumis sativus None
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]malonate assessed as inhibition of [14C]-labeled 20C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Hordeum vulgare None
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]malonate assessed as inhibition of [14C]-labeled 16C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Cucumis sativus None
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]malonate assessed as inhibition of [14C]-labeled 16C fatty acid production at 300 uM after 3 hr by liquid scintillation counting Hordeum vulgare None
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) assessed as inhibition of [14C]malonate incoporation in total fatty acids at 300 uM measured after 3 hr by liquid scintillation counting Cucumis sativus None
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) assessed as inhibition of [14C]malonate incoporation in total fatty acids at 300 uM measured after 3 hr by liquid scintillation counting Hordeum vulgare None
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]acetate assessed as [14C]-labeled 24C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 6.5 +/- 1%) Cucumis sativus 5.1 %
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]acetate assessed as [14C]-labeled 22C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 17.9 +/- 2.5%) Cucumis sativus 13.9 %
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]acetate assessed as [14C]-labeled 22C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 5.5 +/- 0.2%) Hordeum vulgare 7.6 %
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]acetate assessed as [14C]-labeled 20C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 5.1 +/- 0.7%) Cucumis sativus 6.1 %
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]acetate assessed as [14C]-labeled 20C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 4.7 +/- 1.6%) Hordeum vulgare 7.9 %
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]acetate assessed as [14C]-labeled 18C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 41.2 +/- 1.1%) Cucumis sativus 48.1 %
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]acetate assessed as [14C]-labeled 18C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 60.3 +/- 1.3%) Hordeum vulgare 66.1 %
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) using [14C]acetate assessed as [14C]-labeled 16C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 29.2 +/- 3.5%) Cucumis sativus 26.8 %
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) using [14C]acetate assessed as [14C]-labeled 16C fatty acid level at 300 uM after 3 hr by liquid scintillation counting (Rvb = 29.5 +/- 1.3%) Hordeum vulgare 18.4 %
Inhibition of fatty acid synthesis in Cucumis sativus (cucumber) assessed as inhibition of [14C]acetate incoporation in total fatty acids at 300 uM measured as total disintegration per g of fresh weight after 3 hr by liquid scintillation counting (Rvb = 6.4 +/- 1.2 dpm x 10'6 g'1 fresh wt) Cucumis sativus 6.9 10'6dpm
Inhibition of fatty acid synthesis in Hordeum vulgare (barley) assessed as inhibition of [14C]acetate incoporation in total fatty acids at 300 uM measured as total disintegration per g of fresh weight after 3 hr by liquid scintillation counting (Rvb = 5.7 +/- 0.5 dpm x 10'6 g'1 fresh wt) Hordeum vulgare 4.0 10'6dpm

Cross References

Resources Reference
ChEMBL CHEMBL2252192
SureChEMBL SCHEMBL39339
ZINC ZINC00155224
CONTENTS