General Characteristics
| NatID | 411 |
| Common Name | Norpinguisone |
| Molecular Formula | C14H18O2 |
| Chemical Class | Benzofurans |
| Molecular Weight | 218.131 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1CC[C@@]2(C)C(=O)c3ccoc3C[C@@]12C |
| Inchi | InChI=1S/C14H18O2/c1-9-4-6-13(2)12(15)10-5-7-16-11(10)8-14(9,13)3/h5,7,9H,4,6,8H2,1-3H3/t9-,13+,14+/m1/s1 |
| Inchi Key | CSUSIQBEPMPDCP-IIMNLJJBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.46 |
| TPSA | 30.21 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 1 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9836 | Porella chilensis | No | High | 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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