General Characteristics
| NatID | 1059 |
| Common Name | NatID_1059 |
| Molecular Formula | C20H36O4 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 340.261 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC[C@@](C)(O)[C@@H]1CO1 |
| Inchi | InChI=1S/C20H36O4/c1-13-8-9-18(3)14(6-7-15(21)20(18,5)23)17(13,2)10-11-19(4,22)16-12-24-16/h13-16,21-23H,6-12H2,1-5H3/t13-,14-,15-,16+,17+,18-,19-,20+/m1/s1 |
| Inchi Key | MMNMMBJQRRZSJV-GCSNKARASA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.88 |
| TPSA | 73.22 |
| HBD | 3 |
| HBA | 4 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9191 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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