General Characteristics
| NatID | 1715 |
| Common Name | NatID_1715 |
| Molecular Formula | C15H20O2 |
| Chemical Class | Pyrans > Pyranones and derivatives |
| Molecular Weight | 232.146 g/mol |
| Other names | 73019-81-5 |
Representations
| Smiles | CC1(C)CC2CC2(C)C2=CC(=O)C3(C)OC23C1 |
| Inchi | InChI=1S/C15H20O2/c1-12(2)6-9-7-13(9,3)10-5-11(16)14(4)15(10,8-12)17-14/h5,9H,6-8H2,1-4H3 |
| Inchi Key | MPKJWXWMWZURIW-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.87 |
| TPSA | 29.60 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10437 | 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 |
|---|---|---|---|---|
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