General Characteristics
| NatID | 553 |
| Common Name | 5,3',4'-trihydroxy-7-(γ,γ-dimethylallyloxy)dihydroflavonol |
| Molecular Formula | C20H20O7 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 372.121 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2=O |
| Inchi | InChI=1S/C20H20O7/c1-10(2)5-6-26-12-8-15(23)17-16(9-12)27-20(19(25)18(17)24)11-3-4-13(21)14(22)7-11/h3-5,7-9,19-23,25H,6H2,1-2H3/t19-,20+/m0/s1 |
| Inchi Key | HYKSEGAIZVBXBH-VQTJNVASSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.83 |
| TPSA | 116.45 |
| HBD | 4 |
| HBA | 7 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 2 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9386 | Pterocaulon alopecuroides | No | Very High | Alarcón, R., Flores, R., Ocampos, S., Lucatti, A., Galleguillo, L., Tonn, C., & Sosa, V. (2008). Flavonoids fromPterocaulon alopecuroideswith Antibacterial Activity. Planta Medica, 74(12), 1463–1467. https://doi.org/10.1055/s-2008-1081331 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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