propiconazole

Identification (Source:EPA,EU)

ID 546
Name propiconazole
CAS 60207-90-1
IUPAC
Inchi InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
CIPAC 408
EPA Code 122101
Formula C15H17Cl2N3O2
SMILES Clc1ccc(c(Cl)c1)C2(OCC(O2)CCC)Cn3ncnc3
Status Approved

Classification

Mode of Action Systemic with curative and protective action, works via the demethylation of C-14 during ergosterol biosynthesis
Pesticide Type Fungicide
Chemical Group Triazole
Classification conazole fungicides (triazoles)

Properties (Source:PubChem)

Molecular Weight 342.22
Physical State Yellow viscous liquid
AlogP 3.8
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 314.05
Polar Surface Area 49.17

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 Chronic 96 hour NOEC, growth 0.32 mg l-1
Algae Acute 72 hour EC50, growth 0.23 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.37 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.31 mg l-1
Aquatic invertebrates Acute 48 hour EC50 10.2 mg l-1
Aquatic plants Acute 7 day EC50, biomass 4.9 mg l-1
Birds Acute LD50 > 2510 mg kg-1
Birds Short term dietary LC50/LD50 > 5620 mg/kg feed
Earthworms Acute 14 day LD50 686 mg kg-1
Fish Chronic 21 day NOEC 0.068 mg l-1
Fish Acute 96 hour LC50 2.6 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 958 mg kg-1
Mammals Short term dietary NOEL 20 ppm diet
Mammals Short term dietary NOEL 2.7 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 25.0 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 8.0 mg kg-1
Bio-concentration factor BCF 116
Bio-concentration factor CT50 8 days

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 328(2,6,10,28) Details
glutathione S transferase 48(0,1,3,8) Details
cis 4 37(0,1,2,2) Details
HSD1 31(0,1,1,1) Details
protein as 31(0,1,1,1) Details
CYP51 17(0,0,2,7) Details
CYP1A2 13(0,0,2,3) Details
cytochrome P450 3A4 11(0,0,1,6) Details
catalase 10(0,0,1,5) Details
demethylase 8(0,0,0,8) Details
apoprotein 8(0,0,1,3) Details
superoxide dismutase 7(0,0,1,2) Details
keratin (protein family or complex) 7(0,0,1,2) Details
Koc 6(0,0,1,1) Details
CYP2B 6(0,0,1,1) Details
EGFR 6(0,0,1,1) Details
Cyp26a1 6(0,0,1,1) Details
beta catenin 6(0,0,1,1) Details
PTEN 6(0,0,1,1) Details
microRNA 5(0,0,0,5) Details
pregnane X receptor 5(0,0,0,5) Details
C18 5(0,0,0,5) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;