General Characteristics
2D structure
NatID 297
Common Name Swerchirin
Molecular Formula C15H12O6
Chemical Class Benzopyrans > 1-benzopyrans
Molecular Weight 288.063 g/mol
Other names

 

Representations
Smiles COc1cc(O)c2c(=O)c3c(O)ccc(OC)c3oc2c1
Inchi InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-15-10(20-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3
Inchi Key GNSHHHWDGOHNPC-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.37
TPSA 89.13
HBD 2
HBA 6
Rotatable Bonds 2
Aromatic Rings 3
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9725 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