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 YTOPFCCWCSOHFV-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCN1CC(C)OC(C)C1
InChI
InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H39NO
Molecular Weight 297.52
AlogP 6.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 12.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Inhibition of Zea mays (maize) delta8,delta7-sterol isomerase Zea mays 400.0 nM
Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase Zea mays 400.0 nM
Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using delta 8,14-cholestadienol as substrate after 90 min by GC analysis Zea mays 25000.0 nM
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.07 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-3 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.11 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-7 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.09 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-5 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.08 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-4 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.12 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-22 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-8 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.4 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-6 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.6 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-1 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.4 ug.mL-1
Fungitoxicity against wild type Monilinia laxa K2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL2286765
PubChem 32518
SureChEMBL SCHEMBL28670