General Characteristics
| NatID | 1724 |
| Common Name | NatID_1724 |
| Molecular Formula | C15H18O3 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 246.126 g/mol |
| Other names | 16838-87-2 |
Representations
| Smiles | C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](O)C(=C)[C@H]21 |
| Inchi | InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1 |
| Inchi Key | XFVLNEYIZGZDHP-PEDHHIEDSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.99 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10446 | 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 |
|---|---|---|---|---|
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