---

acrolein

Identification (Source:EPA,EU)

ID	1225
Name	acrolein
CAS	107-02-8
IUPAC
Inchi	InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
CIPAC	None allocated
EPA Code	000701
Formula	C3H4O
SMILES	O=C\C=C
Status	Not Available

Classification

Mode of Action	Contact action which degrades cell structure
Pesticide Type	Herbicide
Chemical Group	Aldehyde
Classification	unclassified herbicides

Properties (Source:PubChem)

Molecular Weight	56.1
Physical State	Colourless to yellow liquid with strong acrid smell
AlogP	0.515
H-Bond Donor	0
H-Bond Acceptor	1
Surface Area	69.71
Polar Surface Area	17.07

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Acute	72 hour	EC50, growth	0.05 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	0.022 mg l-1
Aquatic plants	Acute	7 day	EC50, biomass	0.07 mg l-1
Birds	Acute		LD50	19 mg kg-1
Fish	Acute	96 hour	LC50	0.15 mg l-1
Mammals	Acute oral		LD50	29 mg kg-1
Mammals	Short term dietary		NOEL	5 mg kg-1
	Bio-concentration factor		BCF	344
	Bio-concentration factor		CT50	Not available days

Related targets

Target Name	RScore (About this table)
mitogen activated protein kinases (protein family or complex)	998(11,14,15,23)	Details
aldehyde dehydrogenase (protein family or complex)	984(8,17,19,64)	Details
alcohol dehydrogenase (protein family or complex)	885(7,15,19,65)	Details
p38	807(7,14,16,27)	Details
apolipoprotein A I	643(7,9,11,13)	Details
epidermal growth factor receptor	639(6,10,14,19)	Details
AP 1 (protein family or complex)	618(6,10,10,18)	Details
amine oxidase	859(5,16,23,94)	Details
MMP9	568(5,10,11,13)	Details
c jun	487(5,7,9,17)	Details
NF L	418(5,5,7,8)	Details
TRPA1	782(4,13,15,182)	Details
IL 8	565(4,10,15,40)	Details
albumin	465(4,7,12,30)	Details
polyamine oxidase	469(4,6,17,34)	Details
NFkappaB (protein family or complex)	393(4,6,6,13)	Details
brains	465(4,5,22,30)	Details
ALDH 1	371(4,5,5,21)	Details
apoprotein	335(4,4,4,15)	Details
cytochrome P450 (protein family or complex)	729(3,17,18,64)	Details
MUC5AC	775(3,16,33,60)	Details
Matrix metalloproteinase 14	357(3,6,9,12)	Details
myeloperoxidase	326(3,5,7,16)	Details
heme oxygenase 1	364(3,4,16,34)	Details
PPAR gamma	301(3,4,8,11)	Details
caspase 3	296(3,4,5,21)	Details
thioredoxins	277(3,3,6,22)	Details
glutathione transferases	251(3,3,3,11)	Details
alkaline phosphatase	247(3,3,3,7)	Details
polynucleotide kinase	245(3,3,3,5)	Details
primase (protein family or complex)	243(3,3,3,3)	Details
15 hydroxyprostaglandin dehydrogenase	243(3,3,3,3)	Details
cytochrome c	360(2,7,11,30)	Details
5 lipoxygenase	328(2,7,8,13)	Details
CASP9	291(2,6,6,11)	Details
glutathione S transferase	327(2,5,11,47)	Details
aldehyde reductase	277(2,5,6,22)	Details
MAPK 3	265(2,5,6,10)	Details
Hsp90	256(2,5,5,6)	Details
Substance P	304(2,4,13,39)	Details
hemoglobin (protein family or complex)	250(2,4,6,20)	Details
carbonic anhydrase	249(2,4,6,19)	Details
lecithin:cholesterol acyltransferase	219(2,3,4,24)	Details
xanthine oxidase	213(2,3,5,13)	Details
Paraoxonase	202(2,3,4,7)	Details
MGMT	199(2,3,3,9)	Details
ADAM17	193(2,3,3,3)	Details
TRPV1	215(2,2,4,45)	Details
IL 1beta	188(2,2,2,28)	Details
HBE1	181(2,2,5,6)	Details
protein tyrosine phosphatase 1B	173(2,2,3,8)	Details
Toll like receptor 4	173(2,2,2,13)	Details
chemokine	168(2,2,3,3)	Details
protein disulfide isomerase	166(2,2,2,6)	Details
IL 12 (protein family or complex)	164(2,2,2,4)	Details
eIF 2alpha	164(2,2,2,4)	Details
Lipoxygenase (protein family or complex)	250(1,6,7,15)	Details
IFNalpha	181(1,4,5,6)	Details
transferase	181(1,3,7,21)	Details
SOD2	181(1,3,7,21)	Details
catalase	175(1,3,5,25)	Details
glutathione reductase	171(1,3,5,21)	Details
H:quinone oxidoreductase	169(1,3,4,24)	Details
glutathione S transferase P	164(1,3,4,19)	Details
cyclooxygenase 2	162(1,3,5,12)	Details
tumor necrosis factor alpha	160(1,3,4,15)	Details
PK1	158(1,3,4,13)	Details
cAMP response element binding protein	152(1,3,4,7)	Details
caspase 8	152(1,3,4,7)	Details
aspartate aminotransferase	145(1,3,3,5)	Details
glyceraldehyde 3 phosphate dehydrogenase	144(1,3,3,4)	Details
polymerases	133(1,2,2,23)	Details
caspases (protein family or complex)	132(1,2,4,12)	Details
SOD1	131(1,2,2,21)	Details
NF kappa B	123(1,2,3,8)	Details
ATF3	118(1,2,3,3)	Details
p50	115(1,2,2,5)	Details
casein	113(1,2,2,3)	Details
metalloproteinase	113(1,2,2,3)	Details
ADH1	113(1,2,2,3)	Details
tissue inhibitor of metalloproteinase 3	112(1,2,2,2)	Details
ICAD	112(1,2,2,2)	Details
lactate dehydrogenase (protein family or complex)	104(1,1,3,14)	Details
aldo keto reductase (protein family or complex)	99(1,1,2,14)	Details
prothrombin	98(1,1,3,8)	Details
thioredoxin reductase	96(1,1,3,6)	Details
bcl 2	96(1,1,1,16)	Details
apolipoprotein	94(1,1,2,9)	Details
protein is	91(1,1,2,6)	Details
MUC5B	89(1,1,2,4)	Details
NK1	88(1,1,1,8)	Details
alanine aminotransferase	88(1,1,1,8)	Details
immunoglobulin (protein family or complex)	86(1,1,1,6)	Details
PERK	86(1,1,1,6)	Details
CYP3A4	85(1,1,1,5)	Details
succinic semialdehyde dehydrogenase	84(1,1,1,4)	Details
integrin	84(1,1,1,4)	Details
ubiquitin	83(1,1,1,3)	Details
protein tyrosine phosphatases	83(1,1,1,3)	Details
interferon (protein family or complex)	82(1,1,1,2)	Details
Raf 1	82(1,1,1,2)	Details
beta defensin 2	82(1,1,1,2)	Details
alpha synuclein	82(1,1,1,2)	Details
carbonic anhydrases (protein family or complex)	82(1,1,1,2)	Details
protein tyrosine kinases	82(1,1,1,2)	Details
neuronal proteins	81(1,1,1,1)	Details
cytoplasmic protein	81(1,1,1,1)	Details
PPAR	81(1,1,1,1)	Details
caspase activated DNase	81(1,1,1,1)	Details
H2AX	81(1,1,1,1)	Details
CHOP	81(1,1,1,1)	Details
cIAP1	81(1,1,1,1)	Details
S gene	81(1,1,1,1)	Details
thrombospondin 1	81(1,1,1,1)	Details
Fas Ligand	81(1,1,1,1)	Details
protein kinase C (protein family or complex)	125(0,4,4,5)	Details
A10	109(0,3,5,9)	Details
Fas receptor	95(0,3,3,5)	Details
monoamine oxidase	96(0,2,3,31)	Details
aldose reductase like	82(0,2,4,12)	Details
IL 6	77(0,2,3,12)	Details
glucose 6 phosphate dehydrogenase	76(0,2,4,6)	Details
beta actin	69(0,2,3,4)	Details
complex I	68(0,2,2,8)	Details
ALDH2	68(0,2,2,8)	Details
phosphodiesterase	64(0,2,2,4)	Details
caspase 7	64(0,2,2,4)	Details
IkappaBalpha	63(0,2,2,3)	Details
tyrosine hydroxylase	84(0,1,6,29)	Details
metallothionein (protein family or complex)	54(0,1,4,9)	Details
HEMA	53(0,1,4,8)	Details
CGRP	52(0,1,3,12)	Details
hypoxanthine guanine phosphoribosyltransferase	50(0,1,3,10)	Details
oestrogen receptor alpha	49(0,1,2,14)	Details
C18	47(0,1,1,17)	Details
gamma glutamylcysteine synthetase	46(0,1,3,6)	Details
vimentin	46(0,1,2,11)	Details
ALDH 3	45(0,1,1,15)	Details
interleukin (protein family or complex)	44(0,1,2,9)	Details
beta endorphin	41(0,1,1,11)	Details
acid phosphatase	40(0,1,2,5)	Details
SA 2	39(0,1,2,4)	Details
PC3	39(0,1,2,4)	Details
SA 1	38(0,1,2,3)	Details
P35	38(0,1,2,3)	Details
rd1	38(0,1,2,3)	Details
PARP	38(0,1,1,8)	Details
RNase	38(0,1,2,3)	Details
F12	38(0,1,2,3)	Details

Docunmentation of Network Visuallization