General Characteristics
2D structure
NatID 53
Common Name Scutellarein-7,4’-dimethy ether
Molecular Formula C17H14O6
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 314.079 g/mol
Other names

 

Representations
Smiles COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1
Inchi InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3
Inchi Key UUQJTIHOVGMQIH-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.89
TPSA 89.13
HBD 2
HBA 6
Rotatable Bonds 3
Aromatic Rings 3
Heavy Atoms 23
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10032 Baccharis tucumanensis No High Tonn, C. E., Rossomando, P. C., & Giordano, O. S. (1982). Batudioic acid and flavonoids from Baccharis tucumanensis. Phytochemistry, 21(10), 2599–2600. https://doi.org/10.1016/0031-9422(82)85268-0

 

Bioassay ID NPASS ID Target Activity type Activity