General Characteristics
| NatID | 645 |
| Common Name | Cordilin |
| Molecular Formula | C15H20O5 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 280.131 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(CCC(=O)O1)[C@]2(C)O |
| Inchi | InChI=1S/C15H20O5/c1-8-4-5-10-9(2)13(17)19-12(10)14(3,18)15(8)7-6-11(16)20-15/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14+,15+/m0/s1 |
| Inchi Key | IRPFOXRBPHCCTG-JIMHZFRISA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.34 |
| TPSA | 72.83 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9295 | Ambrosia artemisiifolia var. elatior | No | Unknown | Silva, G. L., Oberti, J. C., & Herz, W. (1992). Sesquiterpene lactones and other constituents of argentine Ambrosia species. Phytochemistry, 31(3), 859–861. https://doi.org/10.1016/0031-9422(92)80029-e |
| 9707 | Ambrosia scabra | No | Unknown | Sülsen, V. P., Cazorla, S. I., Frank, F. M., Laurella, L. C., Muschietti, L. V., Catalán, C. A., Martino, V. S., & Malchiodi, E. L. (2013). Natural Terpenoids from Ambrosia Species Are Active In Vitro and In Vivo against Human Pathogenic Trypanosomatids. PLoS Neglected Tropical Diseases, 7(10), e2494. https://doi.org/10.1371/journal.pntd.0002494 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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