Details of Ergotoxine
| IUPAC | (6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| Canonical Smiles | CC(C)[C@@]1(C(=O)N2CC(=O)N3CCC[C@H]3[C@@]2(O1)O)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C |
| Inchi | XLMJRFCCCWFQRE-SJRQCXNHSA-N |
| PubChem ID | 3084035 |
| Smiles | CC(C)[C@@]1(NC(=O)C2=CC3c4cccc5[nH]cc(c45)CC3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)CN2C1=O |
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| Class | Ergot alkaloids |
| Super Class | Tryptophan alkaloids |
| Pathways | Alkaloids |