General Characteristics
| NatID | 978 |
| Common Name | NatID_978 |
| Molecular Formula | C15H12O5 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 272.068 g/mol |
| Other names |
Representations
| Smiles | O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 |
| Inchi | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 |
| Inchi Key | FTVWIRXFELQLPI-ZDUSSCGKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.51 |
| TPSA | 86.99 |
| HBD | 3 |
| HBA | 5 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 2 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9074 | Dalea elegans | No | Very High | Peralta, M., Calise, M., Fornari, M., Ortega, M., Diez, R., Cabrera, J., & Pérez, C. (2012). A Prenylated Flavanone from Dalea elegans Inhibits Rhodamine 6 G Efflux and Reverses Fluconazole-Resistance in Candida albicans. Planta Medica, 78(10), 981–987. https://doi.org/10.1055/s-0031-1298627 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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