General Characteristics
2D structure
NatID 344
Common Name Cirsimaritin
Molecular Formula C17H14O6
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 314.079 g/mol
Other names

 

Representations
Smiles COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC
Inchi InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
Inchi Key ZIIAJIWLQUVGHB-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
10019 Stevia satureifolia No High Beer, M. F., Frank, F. M., Germán Elso, O., Ernesto Bivona, A., Cerny, N., Giberti, G., Luis Malchiodi, E., Susana Martino, V., Alonso, M. R., Patricia Sülsen, V., & Cazorla, S. I. (2016). Trypanocidal and leishmanicidal activities of flavonoids isolated fromStevia satureiifoliavar.satureiifolia. Pharmaceutical Biology, 54(10), 2188–2195. https://doi.org/10.3109/13880209.2016.1150304

 

Bioassay ID NPASS ID Target Activity type Activity