General Characteristics
| NatID | 979 |
| Common Name | NatID_979 |
| Molecular Formula | C25H28O6 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 424.189 g/mol |
| Other names |
Representations
| Smiles | C=CC(C)(C)c1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)c(O)cc1O |
| Inchi | InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(17(26)10-19(16)28)21-12-20(29)23-22(31-21)11-18(27)14(24(23)30)8-7-13(2)3/h6-7,9-11,21,26-28,30H,1,8,12H2,2-5H3/t21-/m0/s1 |
| Inchi Key | FAZILTFMKCGRKR-NRFANRHFSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.19 |
| TPSA | 107.22 |
| HBD | 4 |
| HBA | 6 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 2 |
| Heavy Atoms | 31 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9075 | Dalea elegans | No | Very High | Peralta, M., Calise, M., Fornari, M., Ortega, M., Diez, R., Cabrera, J., & Pérez, C. (2012). A Prenylated Flavanone from Dalea elegans Inhibits Rhodamine 6 G Efflux and Reverses Fluconazole-Resistance in Candida albicans. Planta Medica, 78(10), 981–987. https://doi.org/10.1055/s-0031-1298627 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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