hexachlorobenzene

Identification (Source:EPA,EU)

ID 483
Name hexachlorobenzene
CAS 118-74-1
IUPAC
Inchi InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
CIPAC 161
EPA Code 061001
Formula C6Cl6
SMILES Clc1=c(Cl)c(Cl)=c(Cl)c(Cl)=c1Cl
Status Not Approved

Classification

Mode of Action Fumigant action on fungal spores
Pesticide Type Fungicide, Metabolite
Chemical Group Chlorinated aromatic hydrocarbon
Classification aromatic fungicides

Properties (Source:PubChem)

Molecular Weight 284.80
Physical State Colourless crystals
AlogP 5.816
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 222.21
Polar Surface Area 0.0

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 0.01 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.5 mg l-1
Birds Acute LD50 575 mg kg-1
Earthworms Acute 14 day LD50 1000 mg kg-1
Fish Acute 96 hour LC50 0.03 mg l-1
Mammals Acute oral LD50 > 10000 mg kg-1
Bio-concentration factor BCF 35000
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
uroporphyrinogen decarboxylase 868(7,11,27,108) Details
cytochrome P450 (protein family or complex) 1003(6,14,41,148) Details
Ah receptor 253(2,3,5,53) Details
demethylase 156(1,2,6,26) Details
CYP1A2 119(1,1,4,24) Details
coproporphyrinogen oxidase 102(1,1,4,7) Details
estrogen receptor 100(1,1,2,15) Details
IL 10 88(1,1,1,8) Details
c Src 85(1,1,1,5) Details
IL 5 83(1,1,1,3) Details
progesterone receptor 82(1,1,1,2) Details
androgen receptor 81(1,1,1,1) Details
EGFR 74(0,2,3,9) Details
glutamyl transpeptidase 76(0,1,6,21) Details
ferrochelatase 59(0,1,4,14) Details
thyroid stimulating hormone (protein family or complex) 56(0,1,3,16) Details
glutathione S transferase 56(0,1,3,16) Details
aryl hydrocarbon hydroxylase 44(0,1,2,9) Details
Acetylcholinesterase 38(0,1,1,8) Details
albumin 38(0,1,2,3) Details
superoxide dismutase 37(0,1,1,7) Details
catalase 35(0,1,1,5) Details
glutathione reductase 34(0,1,1,4) Details
Z protein 32(0,1,1,2) Details
Men 32(0,1,1,2) Details
thyroxine binding globulin 32(0,1,1,2) Details
protein is 32(0,1,1,2) Details
G beta 31(0,1,1,1) Details
CBs 1 31(0,1,1,1) Details
immunoglobulin (protein family or complex) 28(0,0,3,13) Details
muscles 26(0,0,2,16) Details
pg m 24(0,0,2,14) Details
POLL 23(0,0,1,18) Details
SPMD 23(0,0,2,13) Details
CYP2B 21(0,0,3,6) Details
ferritin (protein family or complex) 21(0,0,2,11) Details
CYP1A1 20(0,0,1,15) Details
Glutathione S transferase pi 20(0,0,2,10) Details
thyroid peroxidase 20(0,0,2,10) Details
cytochrome c 17(0,0,2,7) Details
IgE 17(0,0,1,12) Details
protein tyrosine kinase 16(0,0,2,6) Details
cytokine receptor (protein family or complex) 15(0,0,2,5) Details
APPI 14(0,0,2,4) Details
IL 4 13(0,0,0,13) Details
PEPCK 12(0,0,1,7) Details
c fos 11(0,0,1,6) Details
c jun 10(0,0,1,5) Details
G6PD 10(0,0,1,5) Details
carcinoembryonic antigen 10(0,0,1,5) Details
cholinesterase 9(0,0,1,4) Details
c Myc 9(0,0,1,4) Details
integrin linked kinase 9(0,0,1,4) Details
glucose 6 phosphate dehydrogenase 9(0,0,1,4) Details
beta N acetylglucosaminidase 9(0,0,1,4) Details
parathyroid hormone 9(0,0,1,4) Details
cytochrome P450 3A4 9(0,0,1,4) Details
delta aminolevulinate dehydratase 8(0,0,1,3) Details
K ras 8(0,0,1,3) Details
ornithine decarboxylase 8(0,0,1,3) Details
PPARalpha 8(0,0,1,3) Details
Anas 8(0,0,1,3) Details
serine palmitoyltransferase (protein family or complex) 7(0,0,1,2) Details
IL 2 receptor 7(0,0,1,2) Details
cytochrome b5 7(0,0,1,2) Details
interferon gamma 7(0,0,1,2) Details
CD4 7(0,0,1,2) Details
phosphoenolpyruvate carboxykinase 7(0,0,1,2) Details
transferase 7(0,0,0,7) Details
CD8 7(0,0,1,2) Details
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