General Characteristics
| NatID | 1727 |
| Common Name | NatID_1727 |
| Molecular Formula | C15H18O2 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 230.131 g/mol |
| Other names | 477-43-0 |
Representations
| Smiles | C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1CCC(=C)[C@H]21 |
| Inchi | InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 |
| Inchi Key | NETSQGRTUNRXEO-XUXIUFHCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.02 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10449 | 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... | ||||