General Characteristics
| NatID | 1714 |
| Common Name | NatID_1714 |
| Molecular Formula | C14H20O2 |
| Chemical Class | Dihydrofurans > Furanones |
| Molecular Weight | 220.146 g/mol |
| Other names | 655243-27-9 |
Representations
| Smiles | C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C |
| Inchi | InChI=1S/C14H20O2/c1-8-10-7-13(2,3)5-9-6-14(9,4)11(10)12(15)16-8/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1 |
| Inchi Key | JYVVXGYNFYHSER-UINNMSKDSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.07 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10436 | Porella swartziana | No | Low | Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||