diuron

Identification (Source:EPA,EU)

ID 318
Name diuron
CAS 330-54-1
IUPAC 3-(3,4-dichlorophenyl)-1,1-dimethylurea
Inchi InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
CIPAC 100
EPA Code 035505
Formula C9H10Cl2N2O
SMILES Clc1ccc(NC(=O)N(C)C)cc1Cl
Status Approved

Classification

Mode of Action Systemic, absorbed via roots, acts by strongly inhibiting photosynthesis
Pesticide Type Herbicide
Chemical Group Phenylurea
Classification Algicides
phenylurea herbicides

Properties (Source:PubChem)

Molecular Weight 233.09
Physical State Off-white powder
AlogP 2.48
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 225.25
Polar Surface Area 32.34

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 0.0027 mg l-1
Aquatic crustaceans Acute 96 hour LC50 1.1 mg l-1
Aquatic invertebrates Acute 48 hour EC50 5.7 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.096 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.0183 mg l-1
Birds Short term dietary LC50/LD50 1730 mg/kg feed
Birds Acute LD50 1104 mg kg-1
Earthworms Acute 14 day LD50 > 798 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 14.4 mg kg-1
Fish Chronic 21 day NOEC 0.41 mg l-1
Fish Acute 96 hour LC50 6.7 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 437 mg kg-1
Mammals Short term dietary NOEL > 250 ppm diet
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
cytochrome b 570(5,7,14,75) Details
Ah receptor 275(2,5,7,15) Details
CYP1A1 169(2,2,3,4) Details
protein as 115(1,2,2,5) Details
CYP1A2 113(1,2,2,3) Details
CYP2C19 112(1,2,2,2) Details
C18 128(1,1,5,28) Details
cytochrome P450 (protein family or complex) 96(1,1,2,11) Details
CP47 96(1,1,1,16) Details
protein is 93(1,1,1,13) Details
ps 2 86(1,1,1,6) Details
protoporphyrinogen oxidase 85(1,1,1,5) Details
K15 85(1,1,1,5) Details
cytochrome bc1 82(1,1,1,2) Details
beta glucosidase 81(1,1,1,1) Details
AHAS 81(1,1,1,1) Details
ubiquinol cytochrome c reductase (protein family or complex) 81(1,1,1,1) Details
CYP2D6 81(1,1,1,1) Details
b protein 102(0,3,3,12) Details
cytochrome c 48(0,1,2,13) Details
Koc 44(0,1,2,9) Details
Tyrosinase 41(0,1,2,6) Details
hemoglobin (protein family or complex) 38(0,1,1,8) Details
CCT 37(0,1,2,2) Details
cytochrome c1 35(0,1,1,5) Details
quinone reductase 33(0,1,1,3) Details
cytochrome b 561 33(0,1,1,3) Details
calmodulin 32(0,1,1,2) Details
leucine aminopeptidase 32(0,1,1,2) Details
demethylases 32(0,1,1,2) Details
CYP3A4 31(0,1,1,1) Details
Acetylcholinesterase 24(0,0,2,14) Details
single chain Fv fragments 18(0,0,2,8) Details
ATPase 14(0,0,0,14) Details
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