General Characteristics
| NatID | 353 |
| Common Name | (1S,2R,5S,6S,7S,10R)-1,2,15-Trihydroxyeudesma-3,11(13)-dien-6,12-olide |
| Molecular Formula | C15H20O5 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 280.131 g/mol |
| Other names | 947490-91-7 |
Representations
| Smiles | C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(CO)=C[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C15H20O5/c1-7-9-3-4-15(2)11(12(9)20-14(7)19)8(6-16)5-10(17)13(15)18/h5,9-13,16-18H,1,3-4,6H2,2H3/t9-,10+,11+,12-,13-,15+/m0/s1 |
| Inchi Key | XKLBERGTXKKUIV-CSWWBCRBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.15 |
| TPSA | 86.99 |
| HBD | 3 |
| HBA | 5 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9517 | Mikania campanulata | No | Very High | Krautmann, M., de Riscala, E. C., Burgueño-Tapia, E., Mora-Pérez, Y., Catalán, C. A. N., & Joseph-Nathan, P. (2007). C-15-Functionalized Eudesmanolides from Mikania campanulata. Journal of Natural Products, 70(7), 1173–1179. https://doi.org/10.1021/np070154t |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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