General Characteristics
| NatID | 102 |
| Common Name | (2S)-2’,4’-Dihydroxy-5’-(1’’’,1’’’-dimethylallyl)-8-prenylpinocembrin) |
| Molecular Formula | C25H28O6 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 424.189 g/mol |
| Other names |
Representations
| Smiles | C=CC(C)(C)c1cc(C2CC(=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 |
| Inchi Key | FAZILTFMKCGRKR-UHFFFAOYSA-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 |
|---|---|---|---|---|
| 9411 | Dalea elegans | No | Very High | Peralta, M. A., da Silva, M. A., Ortega, M. G., Cabrera, J. L., & Paraje, M. G. (2015). Antifungal activity of a prenylated flavonoid from Dalea elegans against Candida albicans biofilms. Phytomedicine, 22(11), 975–980. https://doi.org/10.1016/j.phymed.2015.07.003 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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