Details of Balfourine
| IUPAC | [(1S,2R,3R,4R,5S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-16,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-6-en-4-yl] 3,4-dimethoxybenzoate |
| Canonical Smiles | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C=C[C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)O)O)OC)OC)O)COC |
| Inchi | NJYZKZQUSDVDQW-JLONTHJPSA-N |
| PubChem ID | 102150082 |
| Smiles | CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)C=C[C@@]4(O)[C@H]1[C@H]2OC(=O)c1ccc(OC)c(OC)c1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCN1C%5BC%40%40%5D2%28COC%29%5BC%40H%5D3%5BC%40%40H%5D%28OC%29%5BC%40H%5D4%5BC%40%40H%5D1%5BC%40%5D3%28%5BC%40%40H%5D%28OC%29C%5BC%40H%5D2O%29%5BC%40%40H%5D1C%5BC%40%5D2%28O%29C%3DC%5BC%40%40%5D4%28O%29%5BC%40H%5D1%5BC%40H%5D2OC%28%3DO%29c1ccc%28OC%29c%28OC%29c1/file?format=sdf&get3d=True -- CCN1C%5BC%40%40%5D2%28COC%29%5BC%40H%5D3%5BC%40%40H%5D%28OC%29%5BC%40H%5D4%5BC%40%40H%5D1%5BC%40%5D3%28%5BC%40%40H%5D%28OC%29C%5BC%40H%5D2O%29%5BC%40%40H%5D1C%5BC%40%5D2%28O%29C%3DC%5BC%40%40%5D4%28O%29%5BC%40H%5D1%5BC%40H%5D2OC%28%3DO%29c1ccc%28OC%29c%28OC%29c1 could not be loaded.
| Class | Pseudoalkaloids,Terpenoid alkaloids |
| Super Class | Terpenoids |
| Pathways | Alkaloids |