General Characteristics
2D structure
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