ERGOSINE

Structure

2D structure of ERGOSINE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 105137

Names and identifiers

Name

ERGOSINE

IUPAC name

(6aR,9R)-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-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

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

General information

Molecular formula

C30H37N5O5

Molecular weight

547.66 g/mol

Monoisotopic mass

547.2795 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

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