Drug General Information
Drug ID
D0A6MF
Former ID
DNC014530
Drug Name
MESUAGENIN B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531213]
Structure
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2D MOL

3D MOL

Formula
C30H32O5
Canonical SMILES
CCC(C)C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C4=CC=CC=C4)OC(C=C2<br />)(C)CCC=C(C)C)O
InChI
1S/C30H32O5/c1-6-19(4)26(32)25-27(33)21-14-16-30(5,15-10-11-18(2)3)35-28(21)24-22(17-23(31)34-29(24)25)20-12-8-7-9-13-20/h7-9,11-14,16-17,19,33H,6,10,15H2,1-5H3
InChIKey
GEYVIFNRNUBPHZ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [531213]
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 531213Bioorg Med Chem. 2010 Nov 15;18(22):7873-7. Epub 2010 Sep 25.4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity.
Ref 531213Bioorg Med Chem. 2010 Nov 15;18(22):7873-7. Epub 2010 Sep 25.4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity.

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