General Characteristics
| NatID | 1708 |
| Common Name | NatID_1708 |
| Molecular Formula | C15H22O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 218.167 g/mol |
| Other names | 176678-77-6 |
Representations
| Smiles | C[C@H]1C(=O)C=C2[C@H]1CC(C)(C)C[C@H]1C[C@@]21C |
| Inchi | InChI=1S/C15H22O/c1-9-11-8-14(2,3)6-10-7-15(10,4)12(11)5-13(9)16/h5,9-11H,6-8H2,1-4H3/t9-,10+,11+,15-/m1/s1 |
| Inchi Key | NJTKXUKZKQTHNI-DZHLUBAWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.59 |
| TPSA | 17.07 |
| HBD | 0 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10430 | 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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