General Characteristics
| NatID | 475 |
| Common Name | Pinocembrin |
| Molecular Formula | C15H12O4 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 256.074 g/mol |
| Other names |
Representations
| Smiles | O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 |
| Inchi | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| Inchi Key | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.80 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 2 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9071 | 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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