General Characteristics
| NatID | 1706 |
| Common Name | NatID_1706 |
| Molecular Formula | C16H24O3 |
| Chemical Class | Carboxylic acids and derivatives > Carboxylic acid derivatives |
| Molecular Weight | 264.173 g/mol |
| Other names | 150375-23-8 |
Representations
| Smiles | COC(=O)CC1=C(C(C)=O)CC(C)(C)C[C@H]2C[C@@]12C |
| Inchi | InChI=1S/C16H24O3/c1-10(17)12-9-15(2,3)7-11-8-16(11,4)13(12)6-14(18)19-5/h11H,6-9H2,1-5H3/t11-,16+/m0/s1 |
| Inchi Key | VYLMIBLQFMHGPL-MEDUHNTESA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.28 |
| TPSA | 43.37 |
| HBD | 0 |
| HBA | 3 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10428 | 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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