General Characteristics
| NatID | 1054 |
| Common Name | NatID_1054 |
| Molecular Formula | C15H26O2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 238.193 g/mol |
| Other names |
Representations
| Smiles | CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CC[C@@]2(C)O |
| Inchi | InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1 |
| Inchi Key | WLXJHVQYKOJBBN-NJVJYBDUSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.03 |
| TPSA | 37.30 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9186 | Aldama tucumanensis | No | Very High | Vaccarini, C. E., Palacios, S. M., Meragelman, K. M., & Sosa, V. E. (2002). Antifeedant Activity of Metabolites from Viguiera Tucumanensis. Natural Product Letters, 16(5), 323–327. https://doi.org/10.1080/10575630290030711 |
| 9535 | Disynaphia multicrenulata | No | Very High | de Gutierrez, A. N., Bardón, A., Catalán, C. A. N., Gedris, T. B., & Herz, W. (2001). Sesquiterpene lactones and other constituents of Disynaphia multicrenulata from Argentina. Biochemical Systematics and Ecology, 29(6), 633–647. https://doi.org/10.1016/s0305-1978(00)00092-2 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||