General Characteristics
| NatID | 1728 |
| Common Name | NatID_1728 |
| Molecular Formula | C15H20O2 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 232.146 g/mol |
| Other names | 4955-03-7 |
Representations
| Smiles | C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@@H]12 |
| Inchi | InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12-,13-,14-/m0/s1 |
| Inchi Key | UJADCNYXDHHISU-PEDHHIEDSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.10 |
| 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 |
|---|---|---|---|---|
| 10450 | 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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