General Characteristics
| NatID | 207 |
| Common Name | 5,7-Dihydroxy-6,8,4'-Trimethoxyflavone |
| Molecular Formula | C18H16O7 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 344.090 g/mol |
| Other names |
Representations
| Smiles | COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1 |
| Inchi | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3 |
| Inchi Key | KRFBMPVGAYGGJE-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.90 |
| TPSA | 98.36 |
| HBD | 2 |
| HBA | 7 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 3 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9628 | Baccharis grisebachii | No | Very High | Feresin, G. E., Tapia, A., Gimenez, A., Ravelo, A. G., Zacchino, S., Sortino, M., & Schmeda-Hirschmann, G. (2003). Constituents of the Argentinian medicinal plant Baccharis grisebachii and their antimicrobial activity. Journal of Ethnopharmacology, 89(1), 73–80. https://doi.org/10.1016/s0378-8741(03)00259-9 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||