General Characteristics
2D structure
NatID 564
Common Name apigenine
Molecular Formula C15H10O5
Chemical Class Flavonoids > Flavones
Molecular Weight 270.053 g/mol
Other names 520-36-5

 

Representations
Smiles O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
Inchi InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
Inchi Key KZNIFHPLKGYRTM-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.58
TPSA 90.90
HBD 3
HBA 5
Rotatable Bonds 1
Aromatic Rings 3
Heavy Atoms 20
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9865 Laennecia sophiifolia No High Simirgiotis, M. J., Favier, L. S., Rossomando, P. C., Giordano, O. S., Tonn, C. E., Padrón, J. I., & Vázquez, J. T. (2000). Diterpenes from Laennecia sophiifolia. Phytochemistry, 55(7), 721–726. https://doi.org/10.1016/s0031-9422(00)00290-9
10202 Ibicella lutea No Low Simirgiotis, M. J., Jiménez, C., Rodríguez, J., Giordano, O. S., & Tonn, C. E. (2003). New Dammarane Triterpenes from the Aerial Parts of Ibicella lutea Grown in Argentina. Journal of Natural Products, 66(12), 1586–1592. https://doi.org/10.1021/np030273i

 

Bioassay ID NPASS ID Target Activity type Activity