General Characteristics
| NatID | 1058 |
| Common Name | NatID_1058 |
| Molecular Formula | C22H38O4 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 366.277 g/mol |
| Other names |
Representations
| Smiles | C=C[C@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](OC(C)=O)[C@]2(C)O |
| Inchi | InChI=1S/C22H38O4/c1-8-19(4,24)13-14-20(5)15(2)11-12-21(6)17(20)9-10-18(22(21,7)25)26-16(3)23/h8,15,17-18,24-25H,1,9-14H2,2-7H3/t15-,17-,18-,19+,20+,21-,22+/m1/s1 |
| Inchi Key | WNXAFURUQFJKPW-GTVZXSPQSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.24 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9190 | 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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