oxycarboxin

Identification (Source:EPA,EU)

ID 424
Name oxycarboxin
CAS 5259-88-1
IUPAC
Inchi InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
CIPAC 274
EPA Code 090202
Formula C12H13NO4S
SMILES O=S1(=O)C(=C(/OCC1)C)\C(=O)Nc2ccccc2
Status Not Approved

Classification

Mode of Action Systemic with curative action. Inhibition of nucleic acid synthesis.
Pesticide Type Fungicide, Metabolite
Chemical Group Oxathiin
Classification anilide fungicides
oxathiin fungicides

Properties (Source:PubChem)

Molecular Weight 267.31
Physical State White solid
AlogP 0.584
H-Bond Donor 1
H-Bond Acceptor 4
Surface Area 240.49
Polar Surface Area 80.84

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 0.46 mg l-1
Aquatic invertebrates Acute 48 hour EC50 69.1 mg l-1
Birds Acute LD50 1250 mg kg-1
Fish Acute 96 hour LC50 19.9 mg l-1
Honeybees Acute 48 hour LD50 181 μg bee-1
Mammals Acute oral LD50 1632 mg kg-1
Mammals Short term dietary NOEL 15 mg kg-1
Bio-concentration factor BCF 0.9
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
DCIP 3(0,0,0,3) Details
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