General Characteristics
| NatID | 1574 |
| Common Name | NatID_1574 |
| Molecular Formula | C24H30O10 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 478.184 g/mol |
| Other names | 380151-48-4 |
Representations
| Smiles | CC(=O)OC(C)C(C)C(=O)O[C@@H]1OC=C2[C@H]3OC(=O)[C@]4(C)[C@@H](C[C@]25[C@H]1C[C@@H](O)[C@H]54)[C@@H]3OC(C)=O |
| Inchi | InChI=1S/C24H30O10/c1-9(10(2)31-11(3)25)20(28)34-21-13-6-16(27)19-23(5)14-7-24(13,19)15(8-30-21)18(33-22(23)29)17(14)32-12(4)26/h8-10,13-14,16-19,21,27H,6-7H2,1-5H3/t9?,10?,13-,14-,16+,17-,18+,19-,21-,23+,24-/m0/s1 |
| Inchi Key | CKNCYEFDEJQIOR-VUWWJGGHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.24 |
| TPSA | 134.66 |
| HBD | 1 |
| HBA | 10 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 0 |
| Heavy Atoms | 34 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 10 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10258 | Trixis pallida | No | Low | Kotowicz, C., Hernández, L. R., Cerda-García-Rojas, C. M., Villecco, M. B., Catalán, C. A. N., & Joseph-Nathan, P. (2001). Absolute Configuration of Trixanolides from Trixis pallida. Journal of Natural Products, 64(10), 1326–1331. https://doi.org/10.1021/np010191z |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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