General Characteristics
| NatID | 508 |
| Common Name | artemetina |
| Molecular Formula | C20H20O8 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 388.116 g/mol |
| Other names | 479-90-3 |
Representations
| Smiles | COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC |
| Inchi | InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3 |
| Inchi Key | RIGYMJVFEJNCKD-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.21 |
| TPSA | 96.59 |
| HBD | 1 |
| HBA | 8 |
| Rotatable Bonds | 6 |
| Aromatic Rings | 3 |
| Heavy Atoms | 28 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10020 | Tessaria integrifolia | No | Unknown | Guerreiro, E., Pestchanker, M. J., Vitto, L. D., & Giordano, O. S. (1990). Sesquiterpenes and flavonoids from Tessaria species. Phytochemistry, 29(3), 877–879. https://doi.org/10.1016/0031-9422(90)80037-h |
| 10272 | Stevia procumbens | No | Low | Sosa, V. E., Gil, R., Oberti, J. C., Kulanthaivel, P., & Herz, W. (1985). Sesquiterpene Lactones and Flavones from Stevia procumbens. Journal of Natural Products, 48(2), 340–341. https://doi.org/10.1021/np50038a037 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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