General Characteristics
| NatID | 1795 |
| Common Name | |
| Molecular Formula | C11H14O5 |
| Chemical Class | |
| Molecular Weight | 226.084 g/mol |
| Other names |
Representations
| Smiles | CC1(C)CC(=O)C2=C(O1)[C@H]1O[C@H]1[C@H](O)[C@H]2O |
| Inchi | |
| Inchi Key | |
| 3D Structure |
Calculated Properties
| clogP | -0.49 |
| TPSA | 79.29 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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