General Characteristics
| NatID | 354 |
| Common Name | (1R,6S,7S,10R)-1,15-Dihydroxyeudesma-4,11(13)-dien-6,12-olide |
| Molecular Formula | C15H20O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 264.136 g/mol |
| Other names | 947490-92-8 |
Representations
| Smiles | C=C1C(=O)O[C@@H]2C3=C(CO)CC[C@@H](O)[C@]3(C)CC[C@@H]12 |
| Inchi | InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h10-11,13,16-17H,1,3-7H2,2H3/t10-,11+,13-,15-/m0/s1 |
| Inchi Key | PKQIXCPUGBPWSG-WJNVRWDZSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.33 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9516 | 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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