General Characteristics
| NatID | 505 |
| Common Name | salvigenina |
| Molecular Formula | C19H20O6 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 344.126 g/mol |
| Other names |
Representations
| Smiles | C.COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1 |
| Inchi | InChI=1S/C18H16O6.CH4/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20;/h4-9,20H,1-3H3;1H4 |
| Inchi Key | WRVYTAGTAIKRHC-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.83 |
| TPSA | 78.13 |
| HBD | 1 |
| HBA | 6 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 3 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10011 | 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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