Details of Nimbolide
| IUPAC | methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate |
| Canonical Smiles | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C |
| Inchi | JZIQWNPPBKFOPT-LSYMHUITSA-N |
| PubChem ID | 12313376 |
| Smiles | COC(=O)CC1C2(C)C3=C(C)C(c4ccoc4)CC3OC2C2OC(=O)C3(C)C=CC(=O)C1(C)C23 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29CC1C2%28C%29C3%3DC%28C%29C%28c4ccoc4%29CC3OC2C2OC%28%3DO%29C3%28C%29C%3DCC%28%3DO%29C1%28C%29C23/file?format=sdf&get3d=True -- COC%28%3DO%29CC1C2%28C%29C3%3DC%28C%29C%28c4ccoc4%29CC3OC2C2OC%28%3DO%29C3%28C%29C%3DCC%28%3DO%29C1%28C%29C23 could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |