General Characteristics
| NatID | 208 |
| Common Name | 5-Hydroxy-6,7,8,4'-Tetramethoxyflavone |
| Molecular Formula | C19H18O7 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 358.105 g/mol |
| Other names | Gardenin B |
Representations
| Smiles | COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1 |
| Inchi | InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3 |
| Inchi Key | LXEVSYZNYDZSOB-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.20 |
| TPSA | 87.36 |
| HBD | 1 |
| HBA | 7 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 3 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9627 | 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 |
|---|---|---|---|---|
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