General Characteristics
| NatID | 406 |
| Common Name | Polygodial |
| Molecular Formula | C15H22O2 |
| Chemical Class | Organic oxides |
| Molecular Weight | 234.162 g/mol |
| Other names | 6754-20-7 |
Representations
| Smiles | CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O |
| Inchi | InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1 |
| Inchi Key | AZJUJOFIHHNCSV-KCQAQPDRSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.16 |
| TPSA | 34.14 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9918 | Persicaria lapathifolia subsp. brittingeri | No | High | Stewart, P. S., & William Costerton, J. (2001). Antibiotic resistance of bacteria in biofilms. The Lancet, 358(9276), 135–138. https://doi.org/10.1016/s0140-6736(01)05321-1 |
| 10089 | Drimys winteri | No | Low | Arias, H. R., Feuerbach, D., Schmidt, B., Heydenreich, M., Paz, C., & Ortells, M. O. (2018). Drimane Sesquiterpenoids Noncompetitively Inhibit Human α4β2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human α3β4 and α7 Subtypes. Journal of Natural Products, 81(4), 811–817. https://doi.org/10.1021/acs.jnatprod.7b00893 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||