chlordecone

Identification (Source:EPA,EU)

ID 1475
Name chlordecone
CAS 143-50-0
IUPAC
Inchi InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
CIPAC 297
EPA Code 027701
Formula C10Cl10O
SMILES ClC54C(=O)C1(Cl)C2(Cl)C5(Cl)C3(Cl)C4(Cl)C1(Cl)C2(Cl)C3(Cl)Cl
Status Not Approved

Classification

Mode of Action Central nervous system stimulant. GABA-gated chloride channel antagonist.
Pesticide Type Insecticide, Fungicide, Metabolite
Chemical Group Organochlorine
Classification cyclodiene insecticides

Properties (Source:PubChem)

Molecular Weight 490.64
Physical State Tan to white coloured solid depending upon purity
AlogP 4.638
H-Bond Donor 0
H-Bond Acceptor 1
Surface Area 333.76
Polar Surface Area 17.07

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 0.27 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.010 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.03 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.011 mg l-1
Birds Acute LD50 237 mg kg-1
Earthworms Acute 14 day LD50 105 mg kg-1
Fish Acute 96 hour LC50 0.02 mg l-1
Mammals Acute oral LD50 91.3 mg kg-1
Bio-concentration factor BCF 60000

Related targets

Target Name RScore (About this table)
ATPases 1149(12,16,24,29) Details
ATPase 926(8,14,25,51) Details
estrogen receptor 851(8,12,16,71) Details
calmodulin 369(4,4,10,19) Details
cytochrome P450 (protein family or complex) 294(2,4,12,34) Details
progesterone receptor 250(2,4,7,15) Details
Met enkephalin 227(2,3,8,12) Details
adenylate cyclase 202(2,3,3,12) Details
GC B 163(2,2,2,3) Details
brains 152(1,3,4,7) Details
beta endorphin 100(1,1,4,5) Details
aldo keto reductase (protein family or complex) 98(1,1,1,18) Details
ornithine decarboxylase 92(1,1,2,7) Details
CD4 87(1,1,2,2) Details
beta glucuronidase 82(1,1,1,2) Details
thymidine kinase 82(1,1,1,2) Details
acetylcholine receptor (protein family or complex) 81(1,1,1,1) Details
CXCR5 81(1,1,1,1) Details
serotonin receptors (protein family or complex) 43(0,1,3,3) Details
CCL4 43(0,1,3,3) Details
Lactoferrin 40(0,1,2,5) Details
phosphodiesterase 38(0,1,1,8) Details
serotonin receptor 37(0,1,2,2) Details
pregnane X receptor 32(0,1,1,2) Details
bcl 2 32(0,1,1,2) Details
alpha adrenergic receptor (protein family or complex) 31(0,1,1,1) Details
MC 2 31(0,1,1,1) Details
CXCR4 31(0,1,1,1) Details
5 HT1A 31(0,1,1,1) Details
chlordecone reductase 40(0,0,0,40) Details
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