Details of Sapintoxin C
| IUPAC | [(1R,2R,6R,7S,10S,11R,13S,14R,15R)-13-acetyloxy-1,7-dihydroxy-4,8,12,12,15-pentamethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate |
| Canonical Smiles | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4[C@@H](C(=C3)C)O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC |
| Inchi | KESIQXYRXFIECZ-UNEHIJSCSA-N |
| PubChem ID | 157367 |
| Smiles | CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C)[C@@H](O)C3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CNc1ccccc1C%28%3DO%29O%5BC%40%40H%5D1%5BC%40%40H%5D%28C%29%5BC%40%40%5D2%28O%29%5BC%40%40H%5D%28C%3DC%28C%29%5BC%40%40H%5D%28O%29C3C%28%3DO%29C%28C%29%3DC%5BC%40H%5D32%29%5BC%40%40H%5D2C%28C%29%28C%29%5BC%40%5D12OC%28C%29%3DO/file?format=sdf&get3d=True -- CNc1ccccc1C%28%3DO%29O%5BC%40%40H%5D1%5BC%40%40H%5D%28C%29%5BC%40%40%5D2%28O%29%5BC%40%40H%5D%28C%3DC%28C%29%5BC%40%40H%5D%28O%29C3C%28%3DO%29C%28C%29%3DC%5BC%40H%5D32%29%5BC%40%40H%5D2C%28C%29%28C%29%5BC%40%5D12OC%28C%29%3DO could not be loaded.
| Class | Tetracyclic diterpenoids, Tigliane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |