General Characteristics
| NatID | 53 |
| Common Name | Scutellarein-7,4’-dimethy ether |
| Molecular Formula | C17H14O6 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 314.079 g/mol |
| Other names |
Representations
| Smiles | COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1 |
| Inchi | InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3 |
| Inchi Key | UUQJTIHOVGMQIH-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.89 |
| TPSA | 89.13 |
| HBD | 2 |
| HBA | 6 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 3 |
| Heavy Atoms | 23 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10032 | Baccharis tucumanensis | No | High | Tonn, C. E., Rossomando, P. C., & Giordano, O. S. (1982). Batudioic acid and flavonoids from Baccharis tucumanensis. Phytochemistry, 21(10), 2599–2600. https://doi.org/10.1016/0031-9422(82)85268-0 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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