Drug Information

Drug General Information
Drug ID
D0L0ZH
Former ID
DNC009456
Drug Name
TASPINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528444]
Structure
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2D MOL

3D MOL
Formula
C20H19NO6
Canonical SMILES
CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC
InChI
1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
InChIKey
MTAWKURMWOXCEO-UHFFFAOYSA-N
PubChem Compound ID
215159
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [528444]
KEGG Pathway Glycerophospholipid metabolism
Cholinergic synapse
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer Pathway
References
Ref 528444J Nat Prod. 2006 Sep;69(9):1341-6.Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.
Ref 528444J Nat Prod. 2006 Sep;69(9):1341-6.Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.

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