General Characteristics
2D structure
NatID 343
Common Name Hispidulin
Molecular Formula C16H12O6
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 300.063 g/mol
Other names hispidulina

 

Representations
Smiles COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
Inchi InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
Inchi Key IHFBPDAQLQOCBX-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.59
TPSA 100.13
HBD 3
HBA 6
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 22
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10012 Acanthostyles buniifolius No Unknown Sülsen, V. P., Muschietti, L. V., Martino, V. S., Malchiodi, E. L., Anesini, C. A., Coussio, J. D., Redko, F. C., Frank, F. M., & Cazorla, S. I. (2007). Trypanocidal and Leishmanicidal Activities of Flavonoids from Argentine Medicinal Plants. The American Journal of Tropical Medicine and Hygiene, 77(4), 654–659. https://doi.org/10.4269/ajtmh.2007.77.654

 

Bioassay ID NPASS ID Target Activity type Activity