General Characteristics
| NatID | 106 |
| Common Name | 6,8-Dimethylpinocembrin (demethoxymatteucinol) |
| Molecular Formula | C17H16O4 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 284.105 g/mol |
| Other names |
Representations
| Smiles | Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 |
| Inchi | InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1 |
| Inchi Key | HAIHGFWQOPJMPV-ZDUSSCGKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.42 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 2 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9039 | Dalea elegans | No | Very High | Peralta, M. A., Santi, M. D., Agnese, A. M., Cabrera, J. L., & Ortega, M. G. (2014). Flavanoids from Dalea elegans: Chemical reassignment and determination of kinetics parameters related to their anti-tyrosinase activity. Phytochemistry Letters, 10, 260–267. https://doi.org/10.1016/j.phytol.2014.10.012 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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