General Characteristics
2D structure
NatID 1509
Common Name NatID_1509
Molecular Formula C16H12O7
Chemical Class Flavonoids > Flavones
Molecular Weight 316.058 g/mol
Other names 480-19-3

 

Representations
Smiles COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
Inchi InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
Inchi Key IZQSVPBOUDKVDZ-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.29
TPSA 120.36
HBD 4
HBA 7
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 23
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
10186 Pterocaulon purpurascens No Low Debenedetti, S. L., Nadinic, E. L., Gomez, M. A., & Coussio, J. D. (1987). Polyphenols Isolated from Pterocaulon purpurascens, I. 6-Hydroxyflavonoids. Journal of Natural Products, 50(3), 512–513. https://doi.org/10.1021/np50051a033

 

Bioassay ID NPASS ID Target Activity type Activity