carbofuran

Identification (Source:EPA,EU)

ID 133
Name carbofuran
CAS 1563-66-2
IUPAC 2,3-dihydro-2,2-dimethylbenzofuran-7-yl methylcarbamate
Inchi InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
CIPAC 276
EPA Code 090601
Formula C12H15NO3
SMILES CC2(C)CC1=C(C(=CC=C1)OC(NC)=O)O2
Status Not Approved

Classification

Mode of Action Systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Nematicide, Acaricide, Metabolite
Chemical Group Carbamate
Classification carbamate nematicides
carbamate acaricides
benzofuranyl methylcarbamate insecticides

Properties (Source:PubChem)

Molecular Weight 221.26
Physical State White crystalline powder
AlogP 2.234
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 223.48
Polar Surface Area 47.56

Structure



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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 6.5 mg l-1
Algae Chronic 96 hour NOEC, growth 3.2 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.008 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0094 mg l-1
Birds Acute LD50 0.71 mg kg-1
Birds Short term dietary LC50/LD50 1.6 mg/kg bw/day
Earthworms Chronic 14 day NOEC, reproduction > 0.84 mg kg-1
Earthworms Acute 14 day LD50 224 mg kg-1
Fish Chronic 21 day NOEC 0.0022 mg l-1
Fish Acute 96 hour LC50 0.18 mg l-1
Honeybees Acute 48 hour LD50 0.036 μg bee-1
Mammals Acute oral LD50 7 mg kg-1
Mammals Short term dietary NOEL 0.1 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.016 mg l-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.004 mg kg-1
Bio-concentration factor BCF 12
Bio-concentration factor CT50 0.5 days

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 3078(25,49,74,233) Details
anticholinesterase 1508(13,21,40,133) Details
CYP3A 335(3,5,8,20) Details
cytochrome P450 (protein family or complex) 214(2,3,5,14) Details
ATPase 167(2,2,2,7) Details
NA K ATPase 114(1,2,2,4) Details
CYP2B6 89(1,1,2,4) Details
glycogen phosphorylase 83(1,1,1,3) Details
caspases (protein family or complex) 82(1,1,1,2) Details
succinate dehydrogenase (protein family or complex) 82(1,1,1,2) Details
ha 1 81(1,1,1,1) Details
alkaline phosphatase 75(0,2,3,10) Details
glucose 6 phosphatase 68(0,2,3,3) Details
NMDA receptor (protein family or complex) 62(0,2,2,2) Details
BSAC 39(0,1,2,4) Details
sucrase 38(0,1,2,3) Details
glutamyl transpeptidase 33(0,1,1,3) Details
demethylase 33(0,1,1,3) Details
cytochrome c 32(0,1,1,2) Details
Glutamate pyruvate transaminase 32(0,1,1,2) Details
interleukin (protein family or complex) 31(0,1,1,1) Details
CK 1 31(0,1,1,1) Details
CF 1 (protein family or complex) 31(0,1,1,1) Details
acid phosphatase 31(0,1,1,1) Details
CK 3 31(0,1,1,1) Details
CDs 1 31(0,1,1,1) Details
lactate dehydrogenase (protein family or complex) 28(0,0,4,8) Details
glutathione S transferase 22(0,0,3,7) Details
single chain Fv 19(0,0,2,9) Details
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