Details of Scoparic acid A
| IUPAC | (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| Canonical Smiles | C/C(=CCO)/CC[C@@H]1C(=C)C[C@H]([C@@H]2[C@@]1(CCC[C@@]2(C)C(=O)O)C)OC(=O)C3=CC=CC=C3 |
| Inchi | GIQOHSBJFWWSAH-ZYEVQTAUSA-N |
| PubChem ID | 44584621 |
| Smiles | C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DC1C%5BC%40%40H%5D%28OC%28%3DO%29c2ccccc2%29%5BC%40H%5D2%5BC%40%5D%28C%29%28C%28%3DO%29O%29CCC%5BC%40%5D2%28C%29%5BC%40%40H%5D1CC/C%28C%29%3DC/CO/file?format=sdf&get3d=True -- C%3DC1C%5BC%40%40H%5D%28OC%28%3DO%29c2ccccc2%29%5BC%40H%5D2%5BC%40%5D%28C%29%28C%28%3DO%29O%29CCC%5BC%40%5D2%28C%29%5BC%40%40H%5D1CC/C%28C%29%3DC/CO could not be loaded.
| Class | Labdane diterpenoids, Norlabdane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |