General Characteristics
| NatID | 596 |
| Common Name | 2’,4’-dihydroxychalcone |
| Molecular Formula | C15H12O3 |
| Chemical Class | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Molecular Weight | 240.079 g/mol |
| Other names | 2,4-dihydroxychalcone |
Representations
| Smiles | O=C(/C=C/c1ccc(O)cc1O)c1ccccc1 |
| Inchi | InChI=1S/C15H12O3/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-10,16,18H/b9-7+ |
| Inchi Key | LKNPFZQVNZFLIC-VQHVLOKHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.99 |
| TPSA | 57.53 |
| HBD | 2 |
| HBA | 3 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 2 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9857 | Bidens aurea | No | Unknown | Ortega, C., María, A., & Gianello, J. (2000). Chemical Components and Biological Activity of Bidens Subalternans, B. Aurea (Astereaceae) and Zuccagnia Puntacta (Fabaceae). Molecules, 5(12), 465–467. https://doi.org/10.3390/50300465 |
| 9974 | Glycyrrhiza astragalina | No | Unknown |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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