General Characteristics
2D structure
NatID 285
Common Name 3,7-Dihydroxy-8-Methoxyflavone
Molecular Formula C16H12O5
Chemical Class Flavonoids > Flavones
Molecular Weight 284.068 g/mol
Other names 3,7-dihydroxy-8-metoxyflavone

 

Representations
Smiles COc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12
Inchi InChI=1S/C16H12O5/c1-20-16-11(17)8-7-10-12(18)13(19)14(21-15(10)16)9-5-3-2-4-6-9/h2-8,17,19H,1H3
Inchi Key GFZSBWIGTNTNKS-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.88
TPSA 79.90
HBD 2
HBA 5
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9792 Zuccagnia punctata No High Pederiva, R., & Giordano, O. S. (1984). 37-Dihydroxy-8-methoxyflavone from Zuccagnia punctata. Phytochemistry, 23(6), 1340–1341. https://doi.org/10.1016/s0031-9422(00)80459-8

 

Bioassay ID NPASS ID Target Activity type Activity