General Characteristics
| NatID | 1509 |
| Common Name | NatID_1509 |
| Molecular Formula | C16H12O7 |
| Chemical Class | Flavonoids > Flavones |
| Molecular Weight | 316.058 g/mol |
| Other names | 480-19-3 |
Representations
| Smiles | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O |
| Inchi | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
| Inchi Key | IZQSVPBOUDKVDZ-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.29 |
| TPSA | 120.36 |
| HBD | 4 |
| HBA | 7 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 3 |
| Heavy Atoms | 23 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10186 | Pterocaulon purpurascens | No | Low | Debenedetti, S. L., Nadinic, E. L., Gomez, M. A., & Coussio, J. D. (1987). Polyphenols Isolated from Pterocaulon purpurascens, I. 6-Hydroxyflavonoids. Journal of Natural Products, 50(3), 512–513. https://doi.org/10.1021/np50051a033 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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