allyl alcohol

Identification (Source:EPA,EU)

ID 714
Name allyl alcohol
CAS 107-18-6
IUPAC allyl alcohol
Inchi InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
CIPAC
EPA Code
Formula C3H6O
SMILES O([H])C([H])([H])C([H])=C([H])[H]
Status Not Approved

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification unclassified herbicides
unclassified fungicides

Properties (Source:PubChem)

Molecular Weight 58.07913
Physical State
AlogP 0.258
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 75.25
Polar Surface Area 20.23

Structure



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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)
alcohol dehydrogenase (protein family or complex) 1708(15,25,45,108) Details
aldehyde dehydrogenase (protein family or complex) 486(5,7,8,21) Details
cytochrome P450 (protein family or complex) 216(2,2,6,36) Details
xanthine oxidase 189(1,4,6,9) Details
CYP2E1 98(1,1,2,13) Details
albumin 91(1,1,1,11) Details
catalase 85(1,1,1,5) Details
ferritin (protein family or complex) 85(1,1,1,5) Details
glutamine synthetase 85(1,1,1,5) Details
immunoglobulin (protein family or complex) 82(1,1,1,2) Details
aldo keto reductase (protein family or complex) 81(1,1,1,1) Details
CD1 81(1,1,1,1) Details
protein kinase C delta 81(1,1,1,1) Details
alanine aminotransferase 114(0,2,7,29) Details
cyclooxygenase 2 68(0,2,3,3) Details
lactate dehydrogenase (protein family or complex) 76(0,1,7,16) Details
lipase 40(0,1,1,10) Details
alkaline phosphatase 36(0,1,1,6) Details
aldose reductase 35(0,1,1,5) Details
hemoglobin (protein family or complex) 33(0,1,1,3) Details
CCL4 32(0,1,1,2) Details
cis 3 31(0,1,1,1) Details
has 3 31(0,1,1,1) Details
cis 6 31(0,1,1,1) Details
CHCH 31(0,1,1,1) Details
cis 2 31(0,1,1,1) Details
ADH1 36(0,0,4,16) Details
sorbitol dehydrogenase 22(0,0,2,12) Details
aspartate aminotransferase 17(0,0,2,7) Details
acinus 14(0,0,2,4) Details
transferase 11(0,0,1,6) Details
lysozyme 11(0,0,1,6) Details
Thy 1 9(0,0,1,4) Details
prothrombin 9(0,0,1,4) Details
sialyltransferase 9(0,0,0,9) Details
alpha fetoprotein 9(0,0,1,4) Details
superoxide dismutase 8(0,0,1,3) Details
proliferating cell nuclear antigen 7(0,0,1,2) Details
GALN 7(0,0,1,2) Details
ornithine decarboxylase 7(0,0,1,2) Details
thymidine kinase 7(0,0,1,2) Details
Adh 2 7(0,0,1,2) Details
calcium channel (protein family or complex) 6(0,0,1,1) Details
glutathione S transferase 6(0,0,0,6) Details
CF 1 (protein family or complex) 6(0,0,1,1) Details
leucine aminopeptidase 6(0,0,1,1) Details
ADH2 6(0,0,1,1) Details
tumor necrosis factor alpha 6(0,0,1,1) Details
factor is 6(0,0,1,1) Details
B15 6(0,0,1,1) Details
bFGF 6(0,0,1,1) Details
factor as 6(0,0,1,1) Details
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