TRALKOXYDIM

/static/temp/default.svg Search structure
Synonyms
UNII 39J71H3DDD
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 DQFPEYARZIQXRM-LTGZKZEYSA-N
Smiles CCO\N=C(/CC)\C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C
InChI
InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27NO3
Molecular Weight 329.43
AlogP 4.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 58.89
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Avena sterilis accession P21S assessed as weed survival at 1/32 times field recommended herbicide dose Avena sterilis 100.0 %
Herbicidal activity against Avena sterilis accession P19S assessed as weed survival at 1/32 times field recommended herbicide dose Avena sterilis 100.0 %
Herbicidal activity against Avena sterilis accession P13S assessed as weed survival at 1/32 times field recommended herbicide dose Avena sterilis 93.0 %
Herbicidal activity against Avena sterilis accession P10S assessed as weed survival at 1/32 times field recommended herbicide dose Avena sterilis 97.0 %
Herbicidal activity against Avena sterilis accession P06S assessed as weed survival at 1/32 times field recommended herbicide dose Avena sterilis 80.0 %
Herbicidal activity against Avena sterilis accession P22 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P20 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P18 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P17 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P16 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P15 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P14 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P12 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P11 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P09 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P08 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P07 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P05 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P04 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 37.0 %
Herbicidal activity against Avena sterilis accession P03 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 17.0 %
Herbicidal activity against Avena sterilis accession P02 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P01 assessed as weed survival at 32 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P21S assessed as weed survival at 1/16 times field recommended herbicide dose Avena sterilis 80.0 %
Herbicidal activity against Avena sterilis accession P19S assessed as weed survival at 1/16 times field recommended herbicide dose Avena sterilis 97.0 %
Herbicidal activity against Avena sterilis accession P13S assessed as weed survival at 1/16 times field recommended herbicide dose Avena sterilis 67.0 %
Herbicidal activity against Avena sterilis accession P10S assessed as weed survival at 1/16 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P06S assessed as weed survival at 1/16 times field recommended herbicide dose Avena sterilis 60.0 %
Herbicidal activity against Avena sterilis accession P22 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P20 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 17.0 %
Herbicidal activity against Avena sterilis accession P18 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P17 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P16 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P15 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P14 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P12 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P11 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P09 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P08 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P07 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P05 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P04 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 60.0 %
Herbicidal activity against Avena sterilis accession P03 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P02 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P01 assessed as weed survival at 16 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P21S assessed as weed survival at 1/8 times field recommended herbicide dose Avena sterilis 77.0 %
Herbicidal activity against Avena sterilis accession P19S assessed as weed survival at 1/8 times field recommended herbicide dose Avena sterilis 93.0 %
Herbicidal activity against Avena sterilis accession P13S assessed as weed survival at 1/8 times field recommended herbicide dose Avena sterilis 23.0 %
Herbicidal activity against Avena sterilis accession P10S assessed as weed survival at 1/8 times field recommended herbicide dose Avena sterilis 30.0 %
Herbicidal activity against Avena sterilis accession P06S assessed as weed survival at 1/8 times field recommended herbicide dose Avena sterilis 30.0 %
Herbicidal activity against Avena sterilis accession P22 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P20 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P18 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P17 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 7.0 %
Herbicidal activity against Avena sterilis accession P16 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 17.0 %
Herbicidal activity against Avena sterilis accession P15 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P14 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P12 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P11 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P09 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P08 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 17.0 %
Herbicidal activity against Avena sterilis accession P07 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P05 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 10.0 %
Herbicidal activity against Avena sterilis accession P04 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 60.0 %
Herbicidal activity against Avena sterilis accession P03 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P02 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P01 assessed as weed survival at 8 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P21S assessed as weed survival at 1/4 times field recommended herbicide dose Avena sterilis 33.0 %
Herbicidal activity against Avena sterilis accession P19S assessed as weed survival at 1/4 times field recommended herbicide dose Avena sterilis 70.0 %
Herbicidal activity against Avena sterilis accession P13S assessed as weed survival at 1/4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P10S assessed as weed survival at 1/4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P06S assessed as weed survival at 1/4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P22 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P20 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 80.0 %
Herbicidal activity against Avena sterilis accession P17 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P18 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P16 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 30.0 %
Herbicidal activity against Avena sterilis accession P15 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P14 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P12 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P11 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P09 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P08 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P05 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P07 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P04 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 77.0 %
Herbicidal activity against Avena sterilis accession P03 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 60.0 %
Herbicidal activity against Avena sterilis accession P02 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P01 assessed as weed survival at 4 times field recommended herbicide dose Avena sterilis 43.0 %
Herbicidal activity against Avena sterilis accession P21S assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P19S assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P13S assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P10S assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P22 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 57.0 %
Herbicidal activity against Avena sterilis accession P06S assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P20 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 97.0 %
Herbicidal activity against Avena sterilis accession P18 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 20.0 %
Herbicidal activity against Avena sterilis accession P17 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 50.0 %
Herbicidal activity against Avena sterilis accession P16 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 77.0 %
Herbicidal activity against Avena sterilis accession P15 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 70.0 %
Herbicidal activity against Avena sterilis accession P14 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 0.0 %
Herbicidal activity against Avena sterilis accession P12 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 13.0 %
Herbicidal activity against Avena sterilis accession P09 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 60.0 %
Herbicidal activity against Avena sterilis accession P11 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 17.0 %
Herbicidal activity against Avena sterilis accession P08 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 63.0 %
Herbicidal activity against Avena sterilis accession P07 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 23.0 %
Herbicidal activity against Avena sterilis accession P05 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 40.0 %
Herbicidal activity against Avena sterilis accession P04 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 83.0 %
Herbicidal activity against Avena sterilis accession P03 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 77.0 %
Herbicidal activity against Avena sterilis accession P02 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 77.0 %
Herbicidal activity against Avena sterilis accession P01 assessed as weed survival at 1 times field recommended herbicide dose Avena sterilis 60.0 %
Herbicidal activity against Avena sterilis accession P21S assessed as induction of weed mortality Avena sterilis 84.0 gAi/ha
Herbicidal activity against Avena sterilis accession P19S assessed as induction of weed mortality Avena sterilis 11.0 gAi/ha
Herbicidal activity against Avena sterilis accession P10S assessed as induction of weed mortality Avena sterilis 29.0 gAi/ha
Herbicidal activity against Avena sterilis accession P13S assessed as induction of weed mortality Avena sterilis 34.0 gAi/ha
Herbicidal activity against Avena sterilis accession P06S assessed as induction of weed mortality Avena sterilis 32.0 gAi/ha
Herbicidal activity against Avena sterilis accession P22 assessed as induction of weed mortality Avena sterilis 434.0 gAi/ha
Herbicidal activity against Avena sterilis accession P20 assessed as induction of weed mortality Avena sterilis 2916.0 gAi/ha
Herbicidal activity against Avena sterilis accession P17 assessed as induction of weed mortality Avena sterilis 412.0 gAi/ha
Herbicidal activity against Avena sterilis accession P18 assessed as induction of weed mortality Avena sterilis 400.0 gAi/ha
Herbicidal activity against Avena sterilis accession P16 assessed as induction of weed mortality Avena sterilis 907.0 gAi/ha
Herbicidal activity against Avena sterilis accession P15 assessed as induction of weed mortality Avena sterilis 735.0 gAi/ha
Herbicidal activity against Avena sterilis accession P14 assessed as induction of weed mortality Avena sterilis 400.0 gAi/ha
Herbicidal activity against Avena sterilis accession P11 assessed as induction of weed mortality Avena sterilis 400.0 gAi/ha
Herbicidal activity against Avena sterilis accession P12 assessed as induction of weed mortality Avena sterilis 400.0 gAi/ha
Herbicidal activity against Avena sterilis accession P09 assessed as induction of weed mortality Avena sterilis 532.0 gAi/ha
Herbicidal activity against Avena sterilis accession P08 assessed as induction of weed mortality Avena sterilis 781.0 gAi/ha
Herbicidal activity against Avena sterilis accession P07 assessed as induction of weed mortality Avena sterilis 400.0 gAi/ha
Herbicidal activity against Avena sterilis accession P04 assessed as induction of weed mortality Avena sterilis 7591.0 gAi/ha
Herbicidal activity against Avena sterilis accession P05 assessed as induction of weed mortality Avena sterilis 400.0 gAi/ha
Herbicidal activity against Avena sterilis accession P03 assessed as induction of weed mortality Avena sterilis 1561.0 gAi/ha
Herbicidal activity against Avena sterilis accession P02 assessed as induction of weed mortality Avena sterilis 1073.0 gAi/ha
Resistance index, ratio of GR50 for Avena sterilis accession P21S to GR50 for Avena sterilis accession P10S Avena sterilis 3.0
Resistance index, ratio of GR50 for Avena sterilis accession P13S to GR50 for Avena sterilis accession P10S Avena sterilis 1.0
Resistance index, ratio of GR50 for Avena sterilis accession P19S to GR50 for Avena sterilis accession P10S Avena sterilis 0.4
Herbicidal activity against Avena sterilis accession P01 assessed as induction of weed mortality Avena sterilis 766.0 gAi/ha
Resistance index, ratio of GR50 for Avena sterilis accession P06S to GR50 for Avena sterilis accession P10S Avena sterilis 1.0
Resistance index, ratio of GR50 for Avena sterilis accession P22 to GR50 for Avena sterilis accession P10S Avena sterilis 15.0
Resistance index, ratio of GR50 for Avena sterilis accession P20 to GR50 for Avena sterilis accession P10S Avena sterilis 102.0
Resistance index, ratio of GR50 for Avena sterilis accession P17 to GR50 for Avena sterilis accession P10S Avena sterilis 14.0
Resistance index, ratio of GR50 for Avena sterilis accession P16 to GR50 for Avena sterilis accession P10S Avena sterilis 32.0
Resistance index, ratio of GR50 for Avena sterilis accession P15 to GR50 for Avena sterilis accession P10S Avena sterilis 26.0
Resistance index, ratio of GR50 for Avena sterilis accession P09 to GR50 for Avena sterilis accession P10S Avena sterilis 19.0
Resistance index, ratio of GR50 for Avena sterilis accession P08 to GR50 for Avena sterilis accession P10S Avena sterilis 27.0
Resistance index, ratio of GR50 for Avena sterilis accession P04 to GR50 for Avena sterilis accession P10S Avena sterilis 266.0
Resistance index, ratio of GR50 for Avena sterilis accession P03 to GR50 for Avena sterilis accession P10S Avena sterilis 55.0
Resistance index, ratio of GR50 for Avena sterilis accession P02 to GR50 for Avena sterilis accession P10S Avena sterilis 38.0
Resistance index, ratio of GR50 for Avena sterilis accession P01 to GR50 for Avena sterilis accession P10S Avena sterilis 27.0
Inhibition of acetyl-coenzyme A carboxylase None 1000.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL60556
FDA SRS 39J71H3DDD
SureChEMBL SCHEMBL54229
CONTENTS