General Characteristics
| NatID | 1057 |
| Common Name | NatID_1057 |
| Molecular Formula | C24H40O5 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 408.288 g/mol |
| Other names |
Representations
| Smiles | C=C[C@@](C)(CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](OC(C)=O)[C@]2(C)O)OC(C)=O |
| Inchi | InChI=1S/C24H40O5/c1-9-21(5,29-18(4)26)14-15-22(6)16(2)12-13-23(7)19(22)10-11-20(24(23,8)27)28-17(3)25/h9,16,19-20,27H,1,10-15H2,2-8H3/t16-,19-,20-,21+,22+,23-,24+/m1/s1 |
| Inchi Key | ZBUYVRWETACRLB-FHVOAFLLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.81 |
| TPSA | 72.83 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 6 |
| Aromatic Rings | 0 |
| Heavy Atoms | 29 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9189 | 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 |
|---|---|---|---|---|
| Loading... | ||||