General Characteristics
2D structure
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