General Characteristics
| NatID | 71 |
| Common Name | (2R,3R)-Dihydroquercetin-7,4′-dimethyl ether |
| Molecular Formula | C17H16O7 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 332.090 g/mol |
| Other names |
Representations
| Smiles | COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)[C@@H](O)C2=O |
| Inchi | InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,16-19,21H,1-2H3/t16-,17+/m0/s1 |
| Inchi Key | SVPNMFZMHPLGRR-DLBZAZTESA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.79 |
| TPSA | 105.45 |
| HBD | 3 |
| HBA | 7 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 2 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9584 | Baccharis aliena | No | Very High | Pacciaroni, A. del V., de los Angeles Gette, M., Derita, M., Ariza-Espinar, L., Gil, R. R., Zacchino, S. A., & Silva, G. L. (2008). Antifungal activity ofHeterothalamus alienus metabolites. Phytotherapy Research, 22(4), 524–528. https://doi.org/10.1002/ptr.2380 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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