METALDEHYDE

/static/temp/default.svg Search structure
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 GKKDCARASOJPNG-UHFFFAOYSA-N
Smiles CC1OC(C)OC(C)OC(C)O1
InChI
InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O4
Molecular Weight 176.21
AlogP 0.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 36.92
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Pesticidal activity against Deroceras reticulatum infected oilseed rape assessed as protection against slug damage studied in spring applied during seed dressing at 60 g a.i/kg seed after 2 to 4 weeks relative to untreated control Deroceras reticulatum None
Pesticidal activity against Deroceras reticulatum infected oilseed rape assessed as protection against slug damage studied in spring applied as pellet at 8 kg product/ha after 1 to 4 weeks relative to untreated control Deroceras reticulatum None
Pesticidal activity against Deroceras reticulatum infected oilseed rape assessed as protection against slug damage studied in autumn applied as pellet at 8 kg product/ha after 1 to 4 weeks relative to untreated control Deroceras reticulatum None
Pesticidal activity against Deroceras reticulatum infected oilseed rape assessed as protection against slug damage studied in autumn applied during seed dressing at 58 g a.i/kg seed after 1 to 4 weeks relative to untreated control Deroceras reticulatum None
Phytotoxicity in Brassica napus (oilseed rape) at 60 g a.i/kg applied during seed dressing after 4 weeks studied in spring (Rvb = 91 +/- 2.8 %) Brassica napus 90.3 %
Phytotoxicity in Brassica napus (oilseed rape) at 58 g a.i/kg applied during seed dressing after 4 weeks studied in autumn (Rvb = 89 +/- 2.9 %) Brassica napus 77.0 %
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 21 to 42 days by miniplot trial analysis in presence of 135 mm rainfall Deroceras reticulatum None
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 7 to 14 days by miniplot trial analysis in presence of 135 mm rainfall Deroceras reticulatum None
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 7 days by miniplot trial analysis in presence of 135 mm rainfall Deroceras reticulatum None
Molluscicidal activity against Deroceras panormitanum assessed as reduction of slug number at 0.8 g/m2 after 42 days Deroceras panormitanum None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 7 to 42 days Arion subfuscus None
Molluscicidal activity against Arion subfuscus assessed as reduction of slug number at 0.8 g/m2 after 42 days Arion subfuscus None
Molluscicidal activity against Deroceras reticulatum assessed as reduction of slug number at 0.8 g/m2 after 42 days Deroceras reticulatum None
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 7 to 42 days Deroceras reticulatum None
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 7 to 42 days by miniplot trial analysis in presence of 17 mm rainfall Deroceras reticulatum None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 7 to 42 days by miniplot trial analysis in presence of 17 mm rainfall Arion subfuscus None
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 7 to 28 days by miniplot trial analysis in presence of 65.8 mm rainfall Deroceras reticulatum None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 21 to 28 days by miniplot trial analysis in presence of 65.8 mm rainfall Arion subfuscus None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 7 to 14 days by miniplot trial analysis in presence of 65.8 mm rainfall Arion subfuscus None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 7 to 42 days by miniplot trial analysis in presence of 65.4 mm rainfall Arion subfuscus None
Molluscicidal activity against Deroceras reticulatum in Chinese cabbage at 0.8 g/m2 after 7 to 42 days by miniplot trial analysis in presence of 65.4 mm rainfall Deroceras reticulatum None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 21 to 42 days by miniplot trial analysis in presence of 135 mm rainfall Arion subfuscus None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 7 to 14 days by miniplot trial analysis in presence of 135 mm rainfall Arion subfuscus None
Molluscicidal activity against Arion subfuscus in Chinese cabbage at 0.8 g/m2 after 7 days by miniplot trial analysis in presence of 135 mm rainfall Arion subfuscus None
Molluscicidal activity against Pomacea canaliculata assessed as mortality at 200 uM after 24 hr Pomacea canaliculata 100.0 %
Molluscicidal activity against Pomacea canaliculata Pomacea canaliculata 30000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL2251334
PubChem 61021
SureChEMBL SCHEMBL135215
CONTENTS