General Characteristics
| NatID | 350 |
| Common Name | (1S,4R,5S,6S,7S,10R)-1,15-Diacetoxy-4-hydroxyeudesm-11(13)-en-6,12-olide |
| Molecular Formula | C19H26O7 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 366.168 g/mol |
| Other names | 947490-88-2 |
Representations
| Smiles | C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](OC(C)=O)CC[C@](O)(COC(C)=O)[C@H]21 |
| Inchi | InChI=1S/C19H26O7/c1-10-13-5-7-18(4)14(25-12(3)21)6-8-19(23,9-24-11(2)20)16(18)15(13)26-17(10)22/h13-16,23H,1,5-9H2,2-4H3/t13-,14-,15-,16+,18-,19-/m0/s1 |
| Inchi Key | VUVRYVOGGAELIO-NPWKVKMJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.52 |
| TPSA | 99.13 |
| HBD | 1 |
| HBA | 7 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9518 | 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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