eugenol

Identification (Source:EPA,EU)

ID 1296
Name eugenol
CAS 97-53-0
IUPAC 4-allyl-2-methoxyphenol
Inchi InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
CIPAC
EPA Code
Formula C10H12O2
SMILES O(C([H])([H])[H])c(c(c([H])c([H])c1C([H])([H])C([H])=C([H])[H])O[H])c1[H]
Status PENDING

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification unclassified insect attractants

Properties (Source:PubChem)

Molecular Weight 164.20107
Physical State
AlogP 2.579
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 175.53
Polar Surface Area 29.46

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

Related targets

Target Name RScore (About this table)
vanilloid receptor 1 721(8,10,11,16) Details
cyclooxygenase 2 709(8,9,11,29) Details
xanthine oxidase 572(6,8,10,22) Details
5 lipoxygenase 351(3,6,7,16) Details
cytochrome P450 (protein family or complex) 305(3,4,6,25) Details
monoamine oxidase A 275(3,4,4,5) Details
IgE 255(3,3,4,10) Details
aryl hydrocarbon receptor 247(3,3,3,7) Details
Lipoxygenase (protein family or complex) 260(2,5,5,10) Details
calcium channel (protein family or complex) 225(2,4,4,5) Details
TRPV3 201(2,3,3,11) Details
myeloperoxidase 200(2,3,4,5) Details
Ca v 200(2,3,4,5) Details
E2F1 194(2,3,3,4) Details
cytochrome P450 1A1 193(2,3,3,3) Details
CYP2D6 180(2,2,5,5) Details
IL 1beta 177(2,2,2,17) Details
alkaline phosphatase 177(2,2,3,12) Details
TNFalpha 170(2,2,2,10) Details
mitogen activated protein kinases (protein family or complex) 170(2,2,3,5) Details
NF kappa B 162(2,2,2,2) Details
ATPase 184(1,4,4,14) Details
Acetylcholinesterase 181(1,4,4,11) Details
glutathione S transferase 166(1,3,6,11) Details
Tyrosinase 160(1,3,3,20) Details
XL1 149(1,3,4,4) Details
lipase 146(1,3,3,6) Details
bcl 2 144(1,3,3,4) Details
aldose reductase 118(1,2,2,8) Details
sodium channel (protein family or complex) 118(1,2,3,3) Details
demethylase 114(1,2,2,4) Details
H:quinone oxidoreductase 113(1,2,2,3) Details
cyclooxygenase 1 113(1,2,2,3) Details
UGT2B15 94(1,1,1,14) Details
UGT2B17 91(1,1,1,11) Details
microsomal epoxide hydrolases 85(1,1,1,5) Details
CCL4 84(1,1,1,4) Details
p38 83(1,1,1,3) Details
ST1C1 83(1,1,1,3) Details
CCL2 83(1,1,1,3) Details
CCL3 83(1,1,1,3) Details
ICRF 82(1,1,1,2) Details
CCR7 81(1,1,1,1) Details
Microsomal monooxygenase 81(1,1,1,1) Details
CCR5 81(1,1,1,1) Details
CYP1 81(1,1,1,1) Details
CCL27 81(1,1,1,1) Details
CaV2.3 81(1,1,1,1) Details
superoxide dismutase 114(0,3,5,14) Details
aldehyde dehydrogenase (protein family or complex) 108(0,3,5,8) Details
alcohol dehydrogenase (protein family or complex) 74(0,2,4,4) Details
VR1 74(0,2,4,4) Details
intercellular adhesion molecule 1 63(0,1,5,13) Details
olfactory receptor 58(0,1,1,28) Details
IL 6 57(0,1,3,17) Details
catalase 51(0,1,2,16) Details
CA1 50(0,1,4,5) Details
COMT 49(0,1,3,9) Details
calcineurin (protein family or complex) 44(0,1,3,4) Details
IL 8 44(0,1,2,9) Details
C10 39(0,1,2,4) Details
ATPases 38(0,1,1,8) Details
cyclin 38(0,1,2,3) Details
beta adrenoceptor (protein family or complex) 36(0,1,1,6) Details
TRPA1 35(0,1,1,5) Details
cytochrome c 35(0,1,1,5) Details
IkappaBalpha 34(0,1,1,4) Details
enoyl CoA hydratase 34(0,1,1,4) Details
beta glucosidase 33(0,1,1,3) Details
alpha adrenoceptor 33(0,1,1,3) Details
glutathione reductase 33(0,1,1,3) Details
caspase (protein family or complex) 33(0,1,1,3) Details
HEMA 32(0,1,1,2) Details
Bcl xL 32(0,1,1,2) Details
CYP2E1 32(0,1,1,2) Details
p65 32(0,1,1,2) Details
IKKbeta 32(0,1,1,2) Details
GADD45 32(0,1,1,2) Details
cyclin D1 32(0,1,1,2) Details
transferase 32(0,1,1,2) Details
GABA at 31(0,1,1,1) Details
p50 31(0,1,1,1) Details
somatostatin 31(0,1,1,1) Details
IkappaB kinase 31(0,1,1,1) Details
CYP1B1 31(0,1,1,1) Details
beta ketothiolase 31(0,1,1,1) Details
NF E2 31(0,1,1,1) Details
Mop 31(0,1,1,1) Details
MTA 1 31(0,1,1,1) Details
lipase a 31(0,1,1,1) Details
odorant binding proteins 31(0,1,1,1) Details
CD86 antigens 27(0,0,2,17) Details
lactate dehydrogenase (protein family or complex) 27(0,0,3,12) Details
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