General Characteristics
| NatID | 1709 |
| Common Name | NatID_1709 |
| Molecular Formula | C15H20O2 |
| Chemical Class | Organooxygen compounds > Carbonyl compounds |
| Molecular Weight | 232.146 g/mol |
| Other names | 176678-78-7 |
Representations
| Smiles | CC1(C)C=C2C(=CC(=O)[C@@]2(C)O)[C@]2(C)C[C@@H]2C1 |
| Inchi | InChI=1S/C15H20O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,8-9,17H,6-7H2,1-4H3/t9-,14+,15-/m0/s1 |
| Inchi Key | QPOZXRYBUZKPPP-AMFBXLIHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.63 |
| TPSA | 37.30 |
| HBD | 1 |
| 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 |
|---|---|---|---|---|
| 10431 | 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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