General Characteristics
| NatID | 412 |
| Common Name | Norpinguisone Acetate |
| Molecular Formula | C16H20O4 |
| Chemical Class | Benzofurans |
| Molecular Weight | 276.136 g/mol |
| Other names | 158921-71-2 |
Representations
| Smiles | CC(=O)OC[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C |
| Inchi | InChI=1S/C16H20O4/c1-10-4-6-15(3)14(18)12-5-7-19-13(12)8-16(10,15)9-20-11(2)17/h5,7,10H,4,6,8-9H2,1-3H3/t10-,15+,16-/m1/s1 |
| Inchi Key | IUFYKFUROQQFKO-HPEXNQPKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.00 |
| TPSA | 56.51 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9837 | 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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