General Characteristics
| NatID | 26 |
| Common Name | Eupatolide |
| Molecular Formula | C15H22O3 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 250.157 g/mol |
| Other names | Eupatolide |
Representations
| Smiles | C=C1C(=O)O[C@@H]2C[C@@H](C)CCC=C(C)C[C@@H](O)[C@@H]12 |
| Inchi | InChI=1S/C15H22O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h5,10,12-14,16H,3-4,6-8H2,1-2H3/t10-,12+,13+,14+/m0/s1 |
| Inchi Key | FFPYLMSOGIZMJY-IGHBBLSQSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.60 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9777 | Aldama tucumanensis | No | High | Meragelman, K. M., Espinar, L. A., Sosa, V. E., Uriburu, M. L., & de la Fuente, J. R. (1996). Terpenoid constituents of Viguiera tucumanensis. Phytochemistry, 41(2), 499–502. https://doi.org/10.1016/0031-9422(95)00584-6 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||