General Characteristics
2D structure
NatID 300
Common Name Isobellidifolin;1,3,8-Trihydroxy-5-methoxyxanthen-9-one
Molecular Formula C14H10O6
Chemical Class Benzopyrans > 1-benzopyrans
Molecular Weight 274.048 g/mol
Other names Isobellidifolin 1,3,8-Trihydroxy-5-methoxyxanthen-9-one

 

Representations
Smiles COc1ccc(O)c2c(=O)c3c(O)cc(O)cc3oc12
Inchi InChI=1S/C14H10O6/c1-19-9-3-2-7(16)12-13(18)11-8(17)4-6(15)5-10(11)20-14(9)12/h2-5,15-17H,1H3
Inchi Key QNJCJDZKEAVOBJ-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
9724 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