ERGOTAMINE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 8223
Name
ERGOTAMINE
IUPAC name
(6aR,9R)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILES
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C
Molecular formula
C33H35N5O5
Molecular weight
581.67 g/mol
Monoisotopic mass
581.2638 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Elymus repens (L.) Gould subsp. repens | other | - |
Wealth of India.
|
| Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum | aerial parts | - |
Yates, S.G., Plattner, R.D., Garner, G.B. (1985). Detection of ergopeptine alkaloids in endophyte infected, toxic ky-31 tall fescue by mass spectrometry/mass spectrometry. J Agr Food Chem, 33(4), 719-722 doi:10.1021/jf00064a038
|
| Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum | seed | - |
Yates, S.G., Powell, R.G. (1988). Analysis of ergopeptine alkaloids in endophyte-infected tall fescue. J Agr Food Chem, 36(2), 337-340 doi:10.1021/jf00080a023
|