General Characteristics
| NatID | 955 |
| Common Name | NatID_955 |
| Molecular Formula | C20H20O4 |
| Chemical Class | Flavonoids > Flavans |
| Molecular Weight | 324.136 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O |
| Inchi | InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1 |
| Inchi Key | DAWSYIQAGQMLFS-SFHVURJKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.31 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 2 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9042 | 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 |
|---|---|---|---|---|
| Loading... | ||||