anabasine

Identification (Source:EPA,EU)

ID 1324
Name anabasine
CAS 494-52-0
IUPAC
Inchi InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
CIPAC
EPA Code 006001
Formula C10H14N2
SMILES C1CCC(NC1)C1=CN=CC=C1
Status Not Available

Classification

Mode of Action Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide
Chemical Group Plant derived
Classification botanical insecticides

Properties (Source:PubChem)

Molecular Weight 162.23
Physical State Colourless liquid
AlogP 1.162
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 164.87
Polar Surface Area 24.92

Structure



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2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 166(2,2,2,6) Details
CYP2A6 165(2,2,2,5) Details
cholinesterases 145(1,3,3,5) Details
p65 113(1,2,2,3) Details
cytochrome P450 (protein family or complex) 90(1,1,2,5) Details
yl 1 85(1,1,1,5) Details
acetylcholine receptors (protein family or complex) 112(0,2,2,52) Details
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