General Characteristics
| NatID | 701 |
| Common Name | psilostachyin |
| 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-IGAQZXKNSA-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 |
|---|---|---|---|---|
| 9769 | Ambrosia scabra | No | Unknown | Sülsen, V. P., & Martino, V. S. (2018). Sesquiterpene Lactones. Springer Cham, https://doi.org/10.1007/978-3-319-78274-4 Barrera, P., Sülsen, V. P., Lozano, E., Rivera, M., Beer, M. F., Tonn, C., Martino, V. S., & Sosa, M. A. (2013). Natural Sesquiterpene Lactones Induce Oxidative Stress inLeishmania mexicana. Evidence-Based Complementary and Alternative Medicine, 2013, 1–6. https://doi.org/10.1155/2013/163404 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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