Details of Tafluposide
| IUPAC | [(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-phosphonooxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(2,3,4,5,6-pentafluorophenoxy)acetate |
| Canonical Smiles | C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)OC(=O)COC8=C(C(=C(C(=C8F)F)F)F)F)OC(=O)COC9=C(C(=C(C(=C9F)F)F)F)F |
| Inchi | RTJVUHUGTUDWRK-CSLCKUBZSA-N |
| PubChem ID | 9877073 |
| Smiles | COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](OC(=O)COc5c(F)c(F)c(F)c(F)c5F)[C@H]3OC(=O)COc3c(F)c(F)c(F)c(F)c3F)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O[PH](=O)(=O)O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28%5BC%40%40H%5D2c3cc4c%28cc3%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40%40H%5D5CO%5BC%40%40H%5D%28C%29O%5BC%40H%5D5%5BC%40H%5D%28OC%28%3DO%29COc5c%28F%29c%28F%29c%28F%29c%28F%29c5F%29%5BC%40H%5D3OC%28%3DO%29COc3c%28F%29c%28F%29c%28F%29c%28F%29c3F%29%5BC%40H%5D3COC%28%3DO%29C23%29OCO4%29cc%28OC%29c1O%5BPH%5D%28%3DO%29%28%3DO%29O/file?format=sdf&get3d=True -- COc1cc%28%5BC%40%40H%5D2c3cc4c%28cc3%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40%40H%5D5CO%5BC%40%40H%5D%28C%29O%5BC%40H%5D5%5BC%40H%5D%28OC%28%3DO%29COc5c%28F%29c%28F%29c%28F%29c%28F%29c5F%29%5BC%40H%5D3OC%28%3DO%29COc3c%28F%29c%28F%29c%28F%29c%28F%29c3F%29%5BC%40H%5D3COC%28%3DO%29C23%29OCO4%29cc%28OC%29c1O%5BPH%5D%28%3DO%29%28%3DO%29O could not be loaded.
| Class | Not available |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |