General Characteristics
2D structure
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