valone

Identification (Source:EPA,EU)

ID 1778
Name valone
CAS 83-28-3
IUPAC
Inchi InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3
CIPAC
EPA Code
Formula C14H14O3
SMILES O=C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C(c(c([H])c([H])c([H])c2[H])c2C1=O)=O
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification indandione rodenticides

Properties (Source:PubChem)

Molecular Weight 230.25915
Physical State
AlogP 2.406
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 228.12
Polar Surface Area 51.21

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)
interleukin 1 24(0,0,0,24) Details
Lipoxygenase (protein family or complex) 10(0,0,0,10) Details
CD34 10(0,0,0,10) Details
tumor necrosis factor 7(0,0,0,7) Details
interferon gamma 6(0,0,0,6) Details
Her 2 neu 5(0,0,0,5) Details
calcium channel (protein family or complex) 5(0,0,0,5) Details
myelin basic protein 4(0,0,0,4) Details
thrombin 4(0,0,0,4) Details
immunoglobulin (protein family or complex) 4(0,0,0,4) Details
Fc gamma RI 3(0,0,0,3) Details
lymphokines 3(0,0,0,3) Details
prostatic acid phosphatase 3(0,0,0,3) Details
prostate specific antigen 3(0,0,0,3) Details
IgE 2(0,0,0,2) Details
interferon (protein family or complex) 2(0,0,0,2) Details
C3b 2(0,0,0,2) Details
rac 3 2(0,0,0,2) Details
somatostatin 2(0,0,0,2) Details
K ras 2(0,0,0,2) Details
CD4 2(0,0,0,2) Details
granulocyte macrophage colony stimulating factor 2(0,0,0,2) Details
calcitonin gene related peptide 2(0,0,0,2) Details
protein kinase C (protein family or complex) 2(0,0,0,2) Details
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Node List

ID Name Type

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