General Characteristics
| NatID | 224 |
| Common Name | 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione |
| Molecular Formula | C18H16O7 |
| Chemical Class | Benzene and substituted derivatives > Acetophenones |
| Molecular Weight | 344.090 g/mol |
| Other names |
Representations
| Smiles | CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O |
| Inchi | InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1 |
| Inchi Key | WEYVVCKOOFYHRW-GOSISDBHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.13 |
| TPSA | 121.13 |
| HBD | 3 |
| HBA | 7 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9815 | Usnea amblyoclada | No | High | Peralta, M., da Silva, M., Ortega, M., Cabrera, J., & Paraje, M. (2016). Usnic Acid Activity on Oxidative and Nitrosative Stress of Azole-Resistant Candida albicans Biofilm. Planta Medica, 83(03/04), 326–333. https://doi.org/10.1055/s-0042-116442 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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