General Characteristics
| 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 |
|---|---|---|---|---|
| Loading... | ||||