General Characteristics
| NatID | 1507 |
| Common Name | NatID_1507 |
| Molecular Formula | C15H10O7 |
| Chemical Class | Flavonoids > Flavones |
| Molecular Weight | 302.043 g/mol |
| Other names | 117-39-5 |
Representations
| Smiles | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
| Inchi | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
| Inchi Key | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.99 |
| TPSA | 131.36 |
| HBD | 5 |
| HBA | 7 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 3 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10184 | 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 |
| 10485 | Heterophyllaea pustulata | No | Low | Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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