General Characteristics
2D structure
NatID 509
Common Name cartisina
Molecular Formula C19H18O8
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 374.100 g/mol
Other names

 

Representations
Smiles COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
Inchi InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
Inchi Key PJQLSMYMOKWUJG-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.91
TPSA 107.59
HBD 2
HBA 8
Rotatable Bonds 5
Aromatic Rings 3
Heavy Atoms 27
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
10022 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

 

Bioassay ID NPASS ID Target Activity type Activity