Details of Isorhapontin
| IUPAC | (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Canonical Smiles | COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
| Inchi | KLPUXMNQDCUPNO-DXKBKAGUSA-N |
| PubChem ID | 5281716 |
| Smiles | COc1cc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C%3DCc2cc%28O%29cc%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29c2%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C%3DCc2cc%28O%29cc%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29c2%29ccc1O could not be loaded.
| Class | Monomeric stilbenes |
| Super Class | Stilbenoids |
| Pathways | Shikimates and Phenylpropanoids |