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nicotine

Identification (Source:EPA,EU)

ID	1328
Name	nicotine
CAS	54-11-5
IUPAC
Inchi	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
CIPAC	8
EPA Code	056702
Formula	C10H14N2
SMILES	n1cc(ccc1)C2N(C)CCC2
Status	Not Approved

Classification

Mode of Action	Broad spectrum and fast acting. Mainly respiratory action but some contact and stomach activity
Pesticide Type	Insecticide
Chemical Group	Plant derived
Classification	botanical insecticides

Properties (Source:PubChem)

Molecular Weight	162.23
Physical State	Colourless liquid with brown tint
AlogP	1.242
H-Bond Donor	0
H-Bond Acceptor	2
Surface Area	170.5
Polar Surface Area	16.13

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Aquatic invertebrates	Chronic	21 day	NOEC	0.2 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	0.242 mg l-1
Birds	Acute		LD50	> 17.8 mg kg-1
Birds	Acute		LD50	> 17.8 mg kg-1
Fish	Acute	96 hour	LC50	4.0 mg l-1
Fish	Chronic	21 day	NOEC	2.9 mg l-1
Mammals	Acute oral		LD50	50 mg kg-1
Mammals	Acute oral		LD50	50 mg kg-1
	Bio-concentration factor		CT50	Not available days
	Bio-concentration factor		CT50	Not available days

Related targets

Target Name	RScore (About this table)
acetylcholine receptors (protein family or complex)	4068(30,67,114,323)	Details
CYP2A6	1268(10,22,25,93)	Details
orexin	740(5,14,22,30)	Details
IL 6	594(5,10,12,34)	Details
PI3K	539(5,9,10,14)	Details
neuropeptide Y	477(5,7,8,12)	Details
CA1	446(5,5,10,21)	Details
5 HT 2A	457(4,8,9,12)	Details
mitogen activated protein kinase (protein family or complex)	440(4,7,8,25)	Details
ERK1	392(4,6,6,12)	Details
TRPA1	387(4,6,6,7)	Details
mcl 1	356(4,5,5,6)	Details
IL 1beta	489(3,9,17,29)	Details
bcl 2	320(3,5,7,10)	Details
tyrosine hydroxylase	314(3,5,6,9)	Details
5 HT 2C	309(3,5,5,9)	Details
phosphatidylinositol 3 kinase (protein family or complex)	306(3,5,5,6)	Details
SIDS	315(3,4,7,30)	Details
corticotropin releasing factor	293(3,4,6,13)	Details
Ghrelin	290(3,4,6,10)	Details
p50	288(3,4,6,8)	Details
CD11b	246(3,3,3,6)	Details
Acetylcholinesterase	438(2,10,11,33)	Details
CB1 receptor	412(2,9,14,17)	Details
IL8	372(2,7,13,32)	Details
NFkappaB (protein family or complex)	286(2,6,6,6)	Details
dopamine D2 receptor	301(2,5,7,41)	Details
VEGF	267(2,5,5,17)	Details
brains	262(2,5,5,12)	Details
CHRNA4	260(2,4,6,30)	Details
Telomerase (protein family or complex)	239(2,4,5,14)	Details
mGlu5	226(2,4,4,6)	Details
thrombin	226(2,4,4,6)	Details
MCT1	219(2,3,7,9)	Details
kappa opioid receptor	202(2,3,4,7)	Details
hcrtR1	200(2,3,3,10)	Details
TRPM5	193(2,3,3,3)	Details
alpha synuclein	179(2,2,4,9)	Details
apolipoprotein E	176(2,2,3,11)	Details
UGT2B10	172(2,2,2,12)	Details
tumor necrosis factor	171(2,2,2,11)	Details
basic fibroblast growth factor	170(2,2,3,5)	Details
peroxisome proliferator activated receptor alpha	166(2,2,2,6)	Details
SLURP 1	165(2,2,2,5)	Details
CRELD2	164(2,2,2,4)	Details
transient receptor potential vanilloid 1	163(2,2,2,3)	Details
estrogen receptor	163(2,2,2,3)	Details
FAAH	239(1,6,6,9)	Details
NMDA receptor (protein family or complex)	231(1,5,8,16)	Details
cytochrome P450 (protein family or complex)	213(1,5,5,13)	Details
5 HT 1A	212(1,5,6,7)	Details
VCAM 1	203(1,4,8,13)	Details
JAK2	188(1,4,5,13)	Details
PPARbeta	187(1,4,6,7)	Details
cholinesterase	181(1,4,4,11)	Details
CREB	167(1,3,5,17)	Details
CYP2E1	159(1,3,5,9)	Details
CHRNB2	157(1,3,5,7)	Details
heme oxygenase 1	156(1,3,5,6)	Details
GABBR1	152(1,3,3,12)	Details
interleukin (protein family or complex)	147(1,3,3,7)	Details
glucocorticoid receptor	145(1,3,3,5)	Details
calcium calmodulin dependent protein kinase II	144(1,3,3,4)	Details
dopamine transporter	163(1,2,8,23)	Details
connective tissue growth factor	138(1,2,6,8)	Details
CHRM2	131(1,2,5,6)	Details
serotonin transporter	125(1,2,3,10)	Details
HMGB1	120(1,2,2,10)	Details
fms like tyrosine kinase 1	119(1,2,3,4)	Details
endoglin	119(1,2,3,4)	Details
cyclin D3	119(1,2,2,9)	Details
phosphoinositide 3 kinase (protein family or complex)	115(1,2,2,5)	Details
phosphodiesterase	114(1,2,2,4)	Details
ET A	113(1,2,2,3)	Details
albumin	113(1,2,2,3)	Details
angiotensin II	113(1,2,2,3)	Details
ET B	113(1,2,2,3)	Details
CHRNA3	137(1,1,3,47)	Details
c fos	108(1,1,5,8)	Details
osteopontin	101(1,1,3,11)	Details
alkaline phosphatase	99(1,1,3,9)	Details
Urocortin	99(1,1,4,4)	Details
alpha adrenoceptors (protein family or complex)	94(1,1,3,4)	Details
osteocalcin	94(1,1,3,4)	Details
granulocyte macrophage colony stimulating factor	93(1,1,3,3)	Details
cathepsin L	92(1,1,1,12)	Details
EP1	91(1,1,2,6)	Details
glutamate receptors (protein family or complex)	91(1,1,2,6)	Details
cyclin D1	88(1,1,2,3)	Details
UBA52	88(1,1,1,8)	Details
beta catenin	85(1,1,1,5)	Details
E cadherin	85(1,1,1,5)	Details
CD4	85(1,1,1,5)	Details
CYP1A2	85(1,1,1,5)	Details
IL 12 (protein family or complex)	83(1,1,1,3)	Details
integrin	83(1,1,1,3)	Details
NOS3	83(1,1,1,3)	Details
CD68	82(1,1,1,2)	Details
homeobox	82(1,1,1,2)	Details
CD86 molecules	82(1,1,1,2)	Details
E selectin	82(1,1,1,2)	Details
CD80	82(1,1,1,2)	Details
IL 1a	82(1,1,1,2)	Details
JNK1	82(1,1,1,2)	Details
immunoglobulin (protein family or complex)	82(1,1,1,2)	Details
5 lipoxygenase	81(1,1,1,1)	Details
alpha 2 adrenergic	81(1,1,1,1)	Details
receptor activator of nuclear factor kappaB	81(1,1,1,1)	Details
IL 17	81(1,1,1,1)	Details
GPCR	81(1,1,1,1)	Details
NF E2 related factor 2	81(1,1,1,1)	Details
mGlu3	81(1,1,1,1)	Details
Erk 5	81(1,1,1,1)	Details
thymoma	81(1,1,1,1)	Details
CD11c	81(1,1,1,1)	Details
nuclear factor of activated T cells (protein family or complex)	81(1,1,1,1)	Details
tight junction protein ZO 1	81(1,1,1,1)	Details
bone morphogenetic protein 2	81(1,1,1,1)	Details
homeodomain protein	81(1,1,1,1)	Details
cadherin	81(1,1,1,1)	Details
cyclooxygenase 2	168(0,5,7,8)	Details
intercellular adhesion molecule 1	166(0,5,6,11)	Details
STAT3	162(0,5,5,12)	Details
monoamine oxidase	160(0,5,5,10)	Details
CYP2B6	130(0,4,4,10)	Details
neurotrophin	202(0,3,18,37)	Details
RANKL	124(0,3,8,9)	Details
p38	114(0,3,4,19)	Details
Nerve growth factor	100(0,3,4,5)	Details
corticotropin releasing factor receptors	94(0,3,3,4)	Details
AP 2alpha	93(0,3,3,3)	Details
STAT1	93(0,3,3,3)	Details
CA3	93(0,2,5,18)	Details
leptin	91(0,2,5,16)	Details
tissue type plasminogen activator	82(0,2,5,7)	Details
beta defensin 2	77(0,2,2,17)	Details
Brn 3a	77(0,2,4,7)	Details
MAOA	71(0,2,2,11)	Details
ATPase	70(0,2,3,5)	Details
CYP2D6	67(0,2,2,7)	Details
calcitonin gene related peptide	65(0,2,2,5)	Details
beta adrenergic receptors (protein family or complex)	63(0,2,2,3)	Details
NR1	63(0,2,2,3)	Details
CRF2 receptor	62(0,2,2,2)	Details
AP 1 (protein family or complex)	62(0,2,2,2)	Details
choline acetyltransferase	56(0,1,2,21)	Details
beta endorphin	51(0,1,4,6)	Details
calcium channel (protein family or complex)	50(0,1,3,10)	Details
catechol O methyltransferase	48(0,1,1,18)	Details
neurotrophic factors	45(0,1,3,5)	Details
plasmin	45(0,1,3,5)	Details
diaphorase	44(0,1,3,4)	Details
Dendrin	44(0,1,3,4)	Details
CYP2A13	42(0,1,1,12)	Details
dynorphin	42(0,1,2,7)	Details
Gustducin	41(0,1,2,6)	Details
P12	40(0,1,2,5)	Details
P glycoprotein	39(0,1,1,9)	Details
myeloperoxidase	39(0,1,2,4)	Details
protein kinase C (protein family or complex)	38(0,1,2,3)	Details
hemoglobin (protein family or complex)	38(0,1,1,8)	Details
bradykinin	38(0,1,2,3)	Details
CTRL	37(0,1,2,2)	Details
proteinase activated receptor 1	37(0,1,2,2)	Details
glial glutamate transporter	37(0,1,2,2)	Details
beta site amyloid precursor protein cleaving enzyme	37(0,1,2,2)	Details
breast cancer resistance protein	36(0,1,1,6)	Details
VILIP 1	35(0,1,1,5)	Details
calpain (protein family or complex)	35(0,1,1,5)	Details
Prostate stem cell antigen	35(0,1,1,5)	Details
T2R38	35(0,1,1,5)	Details
Bcl x	34(0,1,1,4)	Details
adenylyl cyclase	34(0,1,1,4)	Details
Pit 1	34(0,1,1,4)	Details
DRD3	34(0,1,1,4)	Details
task 3	33(0,1,1,3)	Details
filaggrin	33(0,1,1,3)	Details
peroxisome proliferator activated receptor gamma	33(0,1,1,3)	Details
mGlu2	33(0,1,1,3)	Details
matrix metalloproteinase 9	33(0,1,1,3)	Details
cytochrome c oxidase subunit I	32(0,1,1,2)	Details
tyrosine kinase receptors	32(0,1,1,2)	Details
taste receptors (protein family or complex)	32(0,1,1,2)	Details
matrix Gla protein	32(0,1,1,2)	Details
factor A	32(0,1,1,2)	Details
norepinephrine transporters	32(0,1,1,2)	Details
caspase (protein family or complex)	32(0,1,1,2)	Details
neurofilament proteins	32(0,1,1,2)	Details
transforming growth factor beta 1	32(0,1,1,2)	Details
oxytocin receptor	32(0,1,1,2)	Details
CHRNA5	62(0,0,3,47)	Details

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