General Characteristics
| NatID | 1707 |
| Common Name | NatID_1707 |
| Molecular Formula | C15H22O2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 234.162 g/mol |
| Other names | 162087-13-0 |
Representations
| Smiles | CC1(C)C[C@H]2C[C@@]2(C)C2=CC(=O)[C@@](C)(O)[C@@H]2C1 |
| Inchi | InChI=1S/C15H22O2/c1-13(2)6-9-7-14(9,3)10-5-12(16)15(4,17)11(10)8-13/h5,9,11,17H,6-8H2,1-4H3/t9-,11+,14+,15-/m0/s1 |
| Inchi Key | RQZGCZIEUZCSMD-PVRXDPTQSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.71 |
| 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 |
|---|---|---|---|---|
| 10429 | 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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