General Characteristics
| NatID | 504 |
| Common Name | 7,4´-di-O-metilapigenina |
| Molecular Formula | C17H14O5 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 298.084 g/mol |
| Other names | 7,4'-dimetilapigenin |
Representations
| Smiles | COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1 |
| Inchi | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3 |
| Inchi Key | LZERJKGWTQYMBB-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.18 |
| TPSA | 68.90 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 3 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9442 | Lampayo hieronymi | No | Very High | Alvarez, M. E., Rotelli, A. E., Pelzer, L. E., Saad, J. R., & Giordano, O. (2000). Phytochemical study and anti-inflammatory properties of Lampaya hieronymi Schum. ex Moldenke. Il Farmaco, 55(6–7), 502–505. https://doi.org/10.1016/s0014-827x(00)00067-7 |
| 10009 | Ophryosporus charua | No | Unknown | Favier, L., Tonn, C., Guerreiro, E., Rotelli, A., & Pelzer, L. (1998). Anti-Inflammatory Activity of Acetophenones fromOphryosporus axilliflorus. Planta Medica, 64(07), 657–659. https://doi.org/10.1055/s-2006-957543 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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