Conodurine information

Conodurine
Names
	IUPAC name methyl 17-ethyl-5-[(15Z)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Identifiers
CAS Number	2665-57-8 ;
3D model (JSmol)	Interactive image;
ChemSpider	57260028;
PubChem CID	5477056;
UNII	GEA6LKA5NH ;
CompTox Dashboard (EPA)	DTXSID50420416 ;
	InChI InChI=1S/C43H52N4O5/c1-7-24-17-23-20-43(42(49)52-6)39-28(15-16-47(21-23)40(24)43)27-13-14-34(50-4)36(38(27)45-39)31-18-29-25(8-2)22-46(3)33(35(29)41(48)51-5)19-30-26-11-9-10-12-32(26)44-37(30)31/h8-14,23-24,29,31,33,35,40,44-45H,7,15-22H2,1-6H3/b25-8+ Key: QJHYXWBJZHUJGS-ZNLRHDTNSA-N;
	SMILES CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)OC)C(=O)OC;
Properties
Chemical formula	C43H52N4O5
Molar mass	704.912 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Conodurine is an acetylcholinesterase inhibitor and butyrylcholinesterase inhibitor isolated from Tabernaemontana.^[1]^[2]^[3]

^ Vieira, IJ; Medeiros, WL; Monnerat, CS; Souza, JJ; Mathias, L; Braz-Filho, R; Pinto, AC; Sousa, PM; Rezende, CM; Epifanio Rde, A (Sep 2008). "Two fast screening methods (GC-MS and TLC-ChEI assay) for rapid evaluation of potential anticholinesterasic indole alkaloids in complex mixtures". An. Acad. Bras. Ciênc. 80 (3): 419–26. doi:10.1590/s0001-37652008000300003. PMID 18797794.
^ "Annals of the Brazilian Academy of Sciences" (PDF).
^ Kam TS, Sim KM (July 2003). "Conodurine, conoduramine, and ervahanine derivatives from Tabernaemontana corymbosa". Phytochemistry. 63 (5): 625–9. doi:10.1016/s0031-9422(03)00087-6. PMID 12809725.

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