| Identification | Back Directory | [Name]
seneciphyllinine | [CAS]
90341-45-0 | [Synonyms]
seneciphyllinine
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 6-(acetyloxy)-3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)- | [Molecular Formula]
C20H25NO6 | [MDL Number]
MFCD20260711 | [MOL File]
90341-45-0.mol | [Molecular Weight]
375.42 |
| Chemical Properties | Back Directory | [Boiling point ]
585.3±50.0 °C(Predicted) | [density ]
1.25±0.1 g/cm3(Predicted) | [pka]
5.79±0.40(Predicted) | [InChI]
InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5-/t16-,17-,20-/m1/s1 | [InChIKey]
CTCKXBIRQMSUIU-BYVYPXNKSA-N | [SMILES]
N12CC=C3COC(=O)[C@@](OC(C)=O)(C)C(=C)C/C(=C/C)/C(=O)O[C@@]([H])([C@]13[H])CC2 |
| Hazard Information | Back Directory | [Uses]
Seneciphyllinine, a pyrrolizidine alkaloid, is isolated from the roots of Gynura japonica. Pyrrolizidine alkaloids are highly hepatotoxic natural chemicals that produce irreversible chronic and acute hepatotoxic effects on human beings[1]. | [Definition]
ChEBI: Acetylseneciphylline is a pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid and an acetate ester. It is functionally related to a seneciphylline. | [References]
[1] Fang L, et al. Mass-spectrometry-directed analysis and purification of pyrrolizidine alkaloid cis/trans isomers in Gynura japonica. J Sep Sci. 2014 Aug;37(15):2032-8. DOI:10.1002/jssc.201400314 |
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