General Characteristics
| NatID | 499 |
| Common Name | jaceosidina |
| Molecular Formula | C17H14O7 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 330.074 g/mol |
| Other names | jaceosidin |
Representations
| Smiles | COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O |
| Inchi | InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3 |
| Inchi Key | GLAAQZFBFGEBPS-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.59 |
| TPSA | 109.36 |
| HBD | 3 |
| HBA | 7 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 3 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10037 | Gaillardia tontalensis | No | Unknown | Petenatti, E. M., Pestchanker, M. J., Del Vitto, L. A., & Guerreiro, E. (1996). Chemotaxonomy of the argentinian species of Gaillardia. Phytochemistry, 42(5), 1367–1368. https://doi.org/10.1016/0031-9422(96)00104-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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