UNII 5991I541GW
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 MXMXHPPIGKYTAR-UHFFFAOYSA-N
Smiles Cc1sc(c(C(=O)NCC=C)c1C)[Si](C)(C)C
InChI
InChI=1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21NOSSi
Molecular Weight 267.46
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD05 expressing C2 genetic cluster assessed as fungal induced root necrosis administered to wheat cultivar Huaimai 30 seeds grown on fungal infested soils at 0.25 g ai/kg measured after 10 days (Rvb = 27.71%) Gaeumannomyces graminis var. tritici 3.19 %
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD04 expressing C2 genetic cluster assessed as fungal induced root necrosis administered to wheat cultivar Huaimai 30 seeds grown on fungal infested soils at 0.25 g ai/kg measured after 10 days (Rvb = 27.34%) Gaeumannomyces graminis var. tritici 1.02 %
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH14 expressing C1 genetic cluster assessed as fungal induced root necrosis administered to wheat cultivar Huaimai 30 seeds grown on fungal infested soils at 0.25 g ai/kg measured after 10 days (Rvb = 28.16%) Gaeumannomyces graminis var. tritici 28.42 %
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH02 expressing C1 genetic cluster assessed as fungal induced root necrosis administered to wheat cultivar Huaimai 30 seeds grown on fungal infested soils at 0.25 g ai/kg measured after 10 days (Rvb = 28.16%) Gaeumannomyces graminis var. tritici 28.0 %
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS12 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 48.43 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS11 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 46.77 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate JS10 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0009 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS09 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 34.18 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate JS08 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0002 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS07 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 24.66 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS06 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 111.45 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS05 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 24.66 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate JS04 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 30.28 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate JS03 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0016 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate JS02 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0013 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate JS01 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0002 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH16 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0003 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH15 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0005 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH14 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 39.86 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH13 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 70.22 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH12 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0006 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH11 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0004 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH10 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 57.63 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH07 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0006 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH06 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 29.07 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH05 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0013 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH04 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0012 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH03 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0003 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate AH02 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 51.82 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH01 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0011 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD06 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0012 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD05 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0007 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD04 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0002 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD03 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0009 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD02 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0036 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate SD01 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0008 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN32 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0004 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN31 expressing C3 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0004 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN30 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0014 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN29 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0002 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN28 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0005 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN27 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 120.52 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN26 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0018 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN25 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0011 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN24 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0003 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN23 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0009 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN22 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0024 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN21 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0005 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN20 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 24.8 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN19 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0001 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN18 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0005 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN17 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.001 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN16 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 28.56 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN15 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0011 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN14 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0009 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN13 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 51.83 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN12 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 53.03 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate HN11 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0007 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN10 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 30.23 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN09 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 106.46 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN08 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 62.36 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN07 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 29.85 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN06 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 29.88 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN05 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 23.82 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN04 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 31.92 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN03 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 29.99 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN02 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 88.12 ug.mL-1
Antifungal activity against sithiofam-resistant Gaeumannomyces graminis var. tritici isolate HN01 expressing C1 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 82.69 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH09 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0003 ug.mL-1
Antifungal activity against sithiofam-sensitive Gaeumannomyces graminis var. tritici isolate AH08 expressing C2 genetic cluster assessed as reduction in fungal colony diameter after 4 days Gaeumannomyces graminis var. tritici 0.0013 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL2288019
FDA SRS 5991I541GW
PubChem 9881821
SureChEMBL SCHEMBL22041