Details of cassumunin A
| IUPAC | (1E,6E)-1-[3-[(E)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
| Canonical Smiles | CC(/C=C/C1=CC(=C(C=C1)OC)OC)C2=C(C(=CC(=C2)/C=C/C(=O)CC(=O)/C=C/C3=CC(=C(C=C3)O)OC)OC)O |
| Inchi | JNTVWGHEMUSWQN-BRLOHPTNSA-N |
| PubChem ID | 10460395 |
| Smiles | COc1cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)c(C(C)/C=C/c3ccc(OC)c(OC)c3)c2)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C%3DCC%28%3DO%29CC%28%3DO%29C%3DCc2cc%28OC%29c%28O%29c%28C%28C%29/C%3DC/c3ccc%28OC%29c%28OC%29c3%29c2%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C%3DCC%28%3DO%29CC%28%3DO%29C%3DCc2cc%28OC%29c%28O%29c%28C%28C%29/C%3DC/c3ccc%28OC%29c%28OC%29c3%29c2%29ccc1O could not be loaded.
| Class | Linear diarylheptanoids |
| Super Class | Diarylheptanoids |
| Pathways | Shikimates and Phenylpropanoids |