General Characteristics
| NatID | 1705 |
| Common Name | NatID_1705 |
| Molecular Formula | C15H20O2 |
| Chemical Class | Cycloheptapyrans |
| Molecular Weight | 232.146 g/mol |
| Other names | 150375-22-7 |
Representations
| Smiles | Cc1oc(=O)cc2c1CC(C)(C)CC1CC21C |
| Inchi | InChI=1S/C15H20O2/c1-9-11-8-14(2,3)6-10-7-15(10,4)12(11)5-13(16)17-9/h5,10H,6-8H2,1-4H3 |
| Inchi Key | PWSPHWLLNDWGKG-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.20 |
| TPSA | 30.21 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 1 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10427 | 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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