General Characteristics
| NatID | 338 |
| Common Name | Uvedalin |
| Molecular Formula | C23H28O9 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 448.173 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 |
| Inchi | InChI=1S/C23H28O9/c1-11-8-7-9-15(21(26)28-6)18(29-14(4)24)19(31-22(27)23(5)13(3)32-23)17-12(2)20(25)30-16(17)10-11/h9-10,13,16-19H,2,7-8H2,1,3-6H3/t13-,16-,17+,18+,19+,23-/m1/s1 |
| Inchi Key | JIEVJXRUYDZFTD-WCYLCQRGSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.94 |
| TPSA | 117.73 |
| HBD | 0 |
| HBA | 9 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 32 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 9 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9978 | Smallanthus sonchifolius | No | High | Frank, F. M., Ulloa, J., Cazorla, S. I., Maravilla, G., Malchiodi, E. L., Grau, A., Martino, V., Catalán, C., & Muschietti, L. V. (2013). Trypanocidal Activity ofSmallanthus sonchifolius: Identification of Active Sesquiterpene Lactones by Bioassay-Guided Fractionation. Evidence-Based Complementary and Alternative Medicine, 2013, 1–8. https://doi.org/10.1155/2013/627898 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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