General Characteristics
| NatID | 1729 |
| Common Name | NatID_1729 |
| Molecular Formula | C21H28O8 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 408.178 g/mol |
| Other names | 57576-33-7 |
Representations
| Smiles | C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 |
| Inchi | InChI=1S/C21H28O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1 |
| Inchi Key | OIOLZODVFMMERF-GHSWTDDMSA-N |
| 3D Structure |
Calculated Properties
| clogP | -0.19 |
| TPSA | 125.68 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 29 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10451 | Hyalis argentea var. latisquama | No | Low | Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||