General Characteristics
| NatID | 509 |
| Common Name | cartisina |
| Molecular Formula | C19H18O8 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 374.100 g/mol |
| Other names |
Representations
| Smiles | COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O |
| Inchi | InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3 |
| Inchi Key | PJQLSMYMOKWUJG-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.91 |
| TPSA | 107.59 |
| HBD | 2 |
| HBA | 8 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 3 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10022 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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