Drug Information

Drug General Information
Drug ID
D0RA5T
Former ID
DNC014493
Drug Name
Pseudocolumbamine trifluoroacetate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551369]
Structure
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2D MOL

3D MOL
Formula
C22H20F3NO6
Canonical SMILES
COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)O.C(<br />=O)(C(F)(F)F)[O-]
InChI
1S/C20H19NO4.C2HF3O2/c1-23-18-7-12-4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(21)15(12)10-17(18)22;3-2(4,5)1(6)7/h6-11H,4-5H2,1-3H3;(H,6,7)
InChIKey
NJSNVNFFIBGGAE-UHFFFAOYSA-N
PubChem Compound ID
49850520
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [551369]
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 551369Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation. J Nat Prod. 2010 Oct 22;73(10):1632-5. doi: 10.1021/np100247r. Epub 2010 Sep 9.
Ref 551369Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation. J Nat Prod. 2010 Oct 22;73(10):1632-5. doi: 10.1021/np100247r. Epub 2010 Sep 9.

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