Details of VINCATHICINE
| IUPAC | methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazapentacyclo[13.3.1.04,12.04,16.05,10]nonadeca-5,7,9,11-tetraen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate |
| Canonical Smiles | CCC1(CN2CCC34C1C(C2)CC(C3=NC5=CC=CC=C45)(C6=C(C=C7C(=C6)C89CCN1C8C(C=CC1)(C(C(C9N7C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O |
| Inchi | AYFGUFZGUHLVPW-UHFFFAOYSA-N |
| PubChem ID | 198365 |
| Smiles | CCC1(O)CN2CCC34C(=Nc5ccccc53)C(C(=O)OC)(c3cc5c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC53C76)CC(C2)C14 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCC1%28O%29CN2CCC34C%28%3DNc5ccccc53%29C%28C%28%3DO%29OC%29%28c3cc5c%28cc3OC%29N%28C%29C3C%28O%29%28C%28%3DO%29OC%29C%28OC%28C%29%3DO%29C6%28CC%29C%3DCCN7CCC53C76%29CC%28C2%29C14/file?format=sdf&get3d=True -- CCC1%28O%29CN2CCC34C%28%3DNc5ccccc53%29C%28C%28%3DO%29OC%29%28c3cc5c%28cc3OC%29N%28C%29C3C%28O%29%28C%28%3DO%29OC%29C%28OC%28C%29%3DO%29C6%28CC%29C%3DCCN7CCC53C76%29CC%28C2%29C14 could not be loaded.
| Class | Aspidosperma type |
| Super Class | Tryptophan alkaloids |
| Pathways | Alkaloids |