General Characteristics
| NatID | 657 |
| Common Name | Isopolygodial |
| Molecular Formula | C15H22O2 |
| Chemical Class | Organic oxides |
| Molecular Weight | 234.162 g/mol |
| Other names |
Representations
| Smiles | CC1(C)CCC[C@]2(C)[C@H](C=O)C(C=O)=CC[C@@H]12 |
| 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-/m1/s1 |
| Inchi Key | AZJUJOFIHHNCSV-VNHYZAJKSA-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 |
|---|---|---|---|---|
| 9917 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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