General Characteristics
| NatID | 413 |
| Common Name | Norpinguisone Methyl Ester |
| Molecular Formula | C15H18O4 |
| Chemical Class | Benzofurans |
| Molecular Weight | 262.121 g/mol |
| Other names | 119285-56-2 |
Representations
| Smiles | COC(=O)[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C |
| Inchi | InChI=1S/C15H18O4/c1-9-4-6-14(2)12(16)10-5-7-19-11(10)8-15(9,14)13(17)18-3/h5,7,9H,4,6,8H2,1-3H3/t9-,14+,15+/m1/s1 |
| Inchi Key | HKOZPZRWAYCCLH-NKZPBKNFSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.61 |
| TPSA | 56.51 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 1 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9838 | 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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