mesotrione

Identification (Source:EPA,EU)

ID 870
Name mesotrione
CAS 104206-82-8
IUPAC 2-(4-mesyl-2-nitrobenzoyl)cyclohexane-1,3-dione
Inchi InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
CIPAC 625
EPA Code 122990
Formula C14H13NO7S
SMILES O=C(c1ccc(cc1[N+]([O-])=O)S(=O)(=O)C)C2C(=O)CCCC2=
Status Approved

Classification

Mode of Action Selective, absorbed by roots and translocated. Bleaching: inhibition of carotenoid biosynthesis.
Pesticide Type Herbicide
Chemical Group Triketone
Classification benzoylcyclohexanedione herbicides

Properties (Source:PubChem)

Molecular Weight 339.32
Physical State Tan coloured liquid
AlogP 1.113
H-Bond Donor 0
H-Bond Acceptor 7
Surface Area 307.48
Polar Surface Area 139.54

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 3.5 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 622 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 180 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.0077 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 5200 mg/kg feed
Earthworms Acute 14 day LD50 > 437.7 mg kg-1
Fish Acute 96 hour LC50 > 120 mg l-1
Fish Chronic 21 day NOEC 12.5 mg l-1
Honeybees Acute 48 hour LD50 > 11 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 0.24 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 180 mg kg-1
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
ha 1 87(1,1,2,2) Details
protoporphyrinogen oxidase 81(1,1,1,1) Details
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