General Characteristics
2D structure
NatID 299
Common Name Bellidifolin
Molecular Formula C14H10O6
Chemical Class Benzopyrans > 1-benzopyrans
Molecular Weight 274.048 g/mol
Other names

 

Representations
Smiles COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1
Inchi InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3
Inchi Key JDIORNFCMMYMLF-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.07
TPSA 100.13
HBD 3
HBA 6
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 20
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9722 Gentianella multicaulis No Very High Lima, B., Sánchez, M., Luna, L., Agüero, M. B., Zacchino, S., Filippa, E., Palermo, J. A., Tapia, A., & Feresin, G. E. (2012). Antimicrobial and Antioxidant Activities of Gentianella multicaulis Collected on the Andean Slopes of San Juan Province, Argentina. Zeitschrift Für Naturforschung C, 67(1–2), 29–38. https://doi.org/10.1515/znc-2012-1-205

 

Bioassay ID NPASS ID Target Activity type Activity