General Characteristics
| NatID | 551 |
| Common Name | 5,4'-dihydroxy-7-(γ,γ-dimethylallyloxy)flavanone |
| Molecular Formula | C20H20O5 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 340.131 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O |
| Inchi | InChI=1S/C20H20O5/c1-12(2)7-8-24-15-9-16(22)20-17(23)11-18(25-19(20)10-15)13-3-5-14(21)6-4-13/h3-7,9-10,18,21-22H,8,11H2,1-2H3/t18-/m0/s1 |
| Inchi Key | HXGGEGJYNMWHAD-SFHVURJKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.15 |
| TPSA | 75.99 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 2 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9389 | 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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