General Characteristics
| NatID | 1648 |
| Common Name | NatID_1648 |
| Molecular Formula | C13H16O2 |
| Chemical Class | Benzofurans |
| Molecular Weight | 204.115 g/mol |
| Other names | 67594-77-8 |
Representations
| Smiles | C[C@@H]1CC[C@H]2C(=O)c3ccoc3C[C@@]12C |
| Inchi | InChI=1S/C13H16O2/c1-8-3-4-10-12(14)9-5-6-15-11(9)7-13(8,10)2/h5-6,8,10H,3-4,7H2,1-2H3/t8-,10+,13+/m1/s1 |
| Inchi Key | SVKFQPIEJUCJEM-DVYJOKAKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.07 |
| TPSA | 30.21 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 1 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10346 | Porella chilensis | No | Low | Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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