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 |
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 |
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 |
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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