General Characteristics
2D structure
NatID 508
Common Name artemetina
Molecular Formula C20H20O8
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 388.116 g/mol
Other names 479-90-3

 

Representations
Smiles COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
Inchi InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3
Inchi Key RIGYMJVFEJNCKD-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.21
TPSA 96.59
HBD 1
HBA 8
Rotatable Bonds 6
Aromatic Rings 3
Heavy Atoms 28
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
10020 Tessaria integrifolia No Unknown Guerreiro, E., Pestchanker, M. J., Vitto, L. D., & Giordano, O. S. (1990). Sesquiterpenes and flavonoids from Tessaria species. Phytochemistry, 29(3), 877–879. https://doi.org/10.1016/0031-9422(90)80037-h
10272 Stevia procumbens No Low Sosa, V. E., Gil, R., Oberti, J. C., Kulanthaivel, P., & Herz, W. (1985). Sesquiterpene Lactones and Flavones from Stevia procumbens. Journal of Natural Products, 48(2), 340–341. https://doi.org/10.1021/np50038a037

 

Bioassay ID NPASS ID Target Activity type Activity