HYDANTOCIDIN

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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 RFZZKBWDDKMWNM-WVQVIYPNSA-N
Smiles OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O6
Molecular Weight 218.16
AlogP -2.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 128.12
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against three-leaf stage Abutilon theophrasti (velvetleaf) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Abutilon theophrasti 95.0 %
Herbicidal activity against three-leaf stage Ambrosia artemisiifolia (ragweed) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Ambrosia artemisiifolia 95.0 %
Herbicidal activity against three-leaf stage Xanthium strumarium (cocklebur) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Xanthium strumarium 95.0 %
Herbicidal activity against three-leaf stage Ipomoea purpurea (common morning-glory) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Ipomoea purpurea 95.0 %
Herbicidal activity against three-leaf stage Solanum nigrum (black nightshade) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Solanum nigrum 95.0 %
Herbicidal activity against three-leaf stage Sorghum halepense (Johnson grass) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Sorghum halepense 95.0 %
Herbicidal activity against three-leaf stage Panicum dichotomiflorum exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Panicum dichotomiflorum 95.0 %
Herbicidal activity against three-leaf stage Digitaria sanguinalis (hairy crabgrass) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Digitaria sanguinalis 95.0 %
Herbicidal activity against three-leaf stage Echinochloa crus-galli (barnyard grass) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Echinochloa crus-galli 95.0 %
Herbicidal activity against three-leaf stage Setaria viridis (green foxtail) exposed to foliar compound spraying at 1000 ppm measured 10 days after compound treatment Setaria viridis 95.0 %
Herbicidal activity against three-leaf stage Abutilon theophrasti (velvetleaf) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Abutilon theophrasti 80.0 %
Herbicidal activity against three-leaf stage Ambrosia artemisiifolia (ragweed) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Ambrosia artemisiifolia None
Herbicidal activity against 3-leaf stage tall Ipomoea purpurea (common morning-glory) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Ipomoea purpurea 30.0 %
Herbicidal activity against three-leaf stage Xanthium strumarium (cocklebur) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Xanthium strumarium 80.0 %
Herbicidal activity against three-leaf stage Solanum nigrum (black nightshade) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Solanum nigrum 50.0 %
Herbicidal activity against three-leaf stage Sorghum halepense (Johnson grass) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Sorghum halepense 0.0 %
Herbicidal activity against three-leaf stage Setaria viridis (green foxtail) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Setaria viridis 80.0 %
Herbicidal activity against three-leaf stage Panicum dichotomiflorum assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Panicum dichotomiflorum 80.0 %
Herbicidal activity against three-leaf stage Digitaria sanguinalis (hairy crabgrass) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Digitaria sanguinalis 80.0 %
Herbicidal activity against three-leaf stage Echinochloa crus-galli (barnyard grass) assessed as plant growth inhibition at 1000 ppm applied through foliar spraying measured after 10 days post compound treatment relative to untreated control Echinochloa crus-galli 10.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2271242
PubChem 11769919
SureChEMBL SCHEMBL8074132
CONTENTS