General Characteristics
| NatID | 285 |
| Common Name | 3,7-Dihydroxy-8-Methoxyflavone |
| Molecular Formula | C16H12O5 |
| Chemical Class | Flavonoids > Flavones |
| Molecular Weight | 284.068 g/mol |
| Other names | 3,7-dihydroxy-8-metoxyflavone |
Representations
| Smiles | COc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12 |
| Inchi | InChI=1S/C16H12O5/c1-20-16-11(17)8-7-10-12(18)13(19)14(21-15(10)16)9-5-3-2-4-6-9/h2-8,17,19H,1H3 |
| Inchi Key | GFZSBWIGTNTNKS-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.88 |
| TPSA | 79.90 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 3 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9792 | Zuccagnia punctata | No | High | Pederiva, R., & Giordano, O. S. (1984). 37-Dihydroxy-8-methoxyflavone from Zuccagnia punctata. Phytochemistry, 23(6), 1340–1341. https://doi.org/10.1016/s0031-9422(00)80459-8 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||