anthraquinone

Identification (Source:EPA,EU)

ID 366
Name anthraquinone
CAS 84-65-1
IUPAC anthraquinone
Inchi InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
CIPAC 290
EPA Code 122701
Formula C14H8O2
SMILES O=C2c1ccccc1C(=O)c3ccccc23
Status Not Approved

Classification

Mode of Action Induces retching in birds and so deters attack
Pesticide Type Repellent
Chemical Group Unclassified
Classification Bird repellents

Properties (Source:PubChem)

Molecular Weight 208.21
Physical State Yellow to green crystals
AlogP 2.808
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 188.84
Polar Surface Area 34.14

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 10 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.942 mg l-1
Aquatic invertebrates Acute 48 hour EC50 10 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.2 mg l-1
Birds Acute LD50 2000 mg kg-1
Earthworms Acute 14 day LD50 1000 mg kg-1
Fish Acute 96 hour LC50 72 mg l-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 15 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 100

Related targets

Target Name RScore (About this table)
Telomerase (protein family or complex) 428(4,6,7,43) Details
luteinizing hormone releasing hormone 373(4,5,5,23) Details
casein kinase II 331(4,4,4,11) Details
cytochrome c 342(3,5,6,37) Details
ICRF 296(3,4,4,26) Details
albumin 252(3,3,3,12) Details
p56lck 248(3,3,3,8) Details
Prolidase 230(2,4,4,10) Details
lysozyme 212(2,3,5,12) Details
aquaporin 4 191(2,2,5,16) Details
NMDA receptors (protein family or complex) 189(2,2,6,9) Details
NADH dehydrogenase 188(2,2,5,13) Details
DT diaphorase 187(2,2,3,22) Details
NADPH cytochrome P450 reductase 185(2,2,4,15) Details
C18 182(2,2,3,17) Details
protein kinase C (protein family or complex) 175(2,2,2,15) Details
caspases (protein family or complex) 173(2,2,2,13) Details
alcohol dehydrogenase (protein family or complex) 168(2,2,3,3) Details
activator protein 1 167(2,2,2,7) Details
glucose 6 phosphate translocase 166(2,2,2,6) Details
NTPDase3 164(2,2,2,4) Details
erythrocyte AMP deaminase 162(2,2,2,2) Details
calmodulin 156(1,3,3,16) Details
ferritin (protein family or complex) 116(1,2,2,6) Details
protein tyrosine kinase 115(1,2,2,5) Details
cathepsin B 114(1,2,2,4) Details
RNase 113(1,2,2,3) Details
Dec 1 111(1,1,5,11) Details
xanthine oxidase 100(1,1,3,10) Details
alkaline phosphatase 100(1,1,2,15) Details
aquaporin 2 100(1,1,3,10) Details
ERK1 97(1,1,1,17) Details
ATPase 91(1,1,1,11) Details
phosphodiesterase 91(1,1,2,6) Details
protein kinase A (protein family or complex) 91(1,1,1,11) Details
P gp 90(1,1,1,10) Details
interferon (protein family or complex) 89(1,1,1,9) Details
hexokinase 89(1,1,1,9) Details
lactate dehydrogenase (protein family or complex) 88(1,1,1,8) Details
telomerase reverse transcriptase 87(1,1,1,7) Details
caspase 8 86(1,1,1,6) Details
CA1 86(1,1,1,6) Details
tumor necrosis factor 86(1,1,1,6) Details
NA K ATPase 84(1,1,1,4) Details
S protein 84(1,1,1,4) Details
malate dehydrogenase 84(1,1,1,4) Details
lactoperoxidase 84(1,1,1,4) Details
phosphoglycerate kinase 84(1,1,1,4) Details
angiotensin converting enzyme 2 84(1,1,1,4) Details
C13 83(1,1,1,3) Details
PC3 83(1,1,1,3) Details
P2X1 82(1,1,1,2) Details
beta hexosaminidase 82(1,1,1,2) Details
P2X receptors (protein family or complex) 82(1,1,1,2) Details
KNO 81(1,1,1,1) Details
Tyrosinase 81(1,1,1,1) Details
matrix metalloproteinase 1 81(1,1,1,1) Details
glutamate receptors (protein family or complex) 81(1,1,1,1) Details
serine threonine protein kinases 81(1,1,1,1) Details
MutS 81(1,1,1,1) Details
cytochrome P450 (protein family or complex) 132(0,3,4,37) Details
complex is 105(0,3,3,15) Details
superoxide dismutase 88(0,2,3,23) Details
aryl hydrocarbon receptor 86(0,2,2,26) Details
Red 2 85(0,2,5,10) Details
interleukin 1 76(0,2,2,16) Details
ring 1 74(0,2,4,4) Details
AP 1 (protein family or complex) 71(0,2,2,11) Details
DCIP 70(0,2,3,5) Details
cyclic nucleotide phosphodiesterase 69(0,2,2,9) Details
RR2 57(0,1,3,17) Details
caspase 3 46(0,1,1,16) Details
S12 46(0,1,3,6) Details
ASAM 46(0,1,3,6) Details
MR 1 44(0,1,1,14) Details
catalase 40(0,1,1,10) Details
estrogen receptor 40(0,1,1,10) Details
plasma hyaluronan binding protein 39(0,1,1,9) Details
myoglobin 39(0,1,1,9) Details
BLT2 39(0,1,1,9) Details
pg m 38(0,1,2,3) Details
casein 36(0,1,1,6) Details
NR1 35(0,1,1,5) Details
fibronectin 34(0,1,1,4) Details
protein is 34(0,1,1,4) Details
HEMA 34(0,1,1,4) Details
PLA2 34(0,1,1,4) Details
H ras 34(0,1,1,4) Details
CNSN 34(0,1,1,4) Details
phosphomannomutase 33(0,1,1,3) Details
P2Y1 32(0,1,1,2) Details
ACAC 31(0,1,1,1) Details
protein phosphatase 2A (protein family or complex) 31(0,1,1,1) Details
IgE 31(0,1,1,1) Details
P21 31(0,1,1,1) Details
lipase 31(0,1,1,1) Details
cholinesterase 31(0,1,1,1) Details
lag 5 31(0,1,1,1) Details
APT2 31(0,1,1,1) Details
5 lipoxygenase 31(0,1,1,1) Details
quinone reductase 36(0,0,2,26) Details
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