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ethoxyquin

Identification (Source:EPA,EU)

ID	689
Name	ethoxyquin
CAS	91-53-2
IUPAC	1,2-dihydro-2,2,4-trimethylquinolin-6-yl ethyl ether
Inchi	InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
CIPAC	517
EPA Code	055501
Formula	C14H19NO
SMILES	O(c2ccc1c(\C(=C/C(N1)(C)C)C)c2)CC
Status	Not Approved

Classification

Mode of Action	Anti-oxidant effecting plant growth
Pesticide Type	Fungicide, Veterinary treatment, Other product constituent
Chemical Group	Quinoline
Classification	quinoline fungicides

Properties (Source:PubChem)

Molecular Weight	217.31
Physical State	Yellow to brown coloured viscous liquid
AlogP	3.221
H-Bond Donor	1
H-Bond Acceptor	2
Surface Area	232.74
Polar Surface Area	21.26

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Chronic	96 hour	NOEC, growth	6.1 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	2 mg l-1
Birds	Acute		LD50	2417 mg kg-1
Birds	Short term dietary		LC50/LD50	> 1505 mg/kg bw/day
Fish	Acute	96 hour	LC50	18 mg l-1
Mammals	Acute oral		LD50	1726 mg kg-1
	Bio-concentration factor		CT50	Not available days

Related targets

Target Name	RScore (About this table)
AFAR	188(2,2,4,18)	Details
5 LO	163(2,2,2,3)	Details
glutamyl transpeptidase	164(1,2,8,24)	Details
cytochrome P450 (protein family or complex)	111(1,1,4,16)	Details
aldo keto reductase (protein family or complex)	98(1,1,2,13)	Details
CHOP	88(1,1,2,3)	Details
aldehyde reductase	179(0,4,9,34)	Details
glutathione S transferases	217(0,3,18,52)	Details
Lipoxygenase (protein family or complex)	65(0,2,2,5)	Details
thromboxane synthase	62(0,2,2,2)	Details
aryl hydrocarbon receptor	51(0,1,2,16)	Details
quinone reductase	47(0,1,2,12)	Details
peroxisome proliferator activated receptor alpha	45(0,1,1,15)	Details
transferase	43(0,1,2,8)	Details
CYP3A	39(0,1,1,9)	Details
epoxide hydratase	35(0,1,1,5)	Details
p38	33(0,1,1,3)	Details
MAPK (protein family or complex)	33(0,1,1,3)	Details
Oatp2b1	32(0,1,1,2)	Details
H:quinone oxidoreductase	25(0,0,1,20)	Details
glutathione S transferase A5	13(0,0,1,8)	Details
gamma glutamylcysteine synthetase	11(0,0,1,6)	Details

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