General Characteristics
| NatID | 597 |
| Common Name | 2’,4’-dihydroxy-3-methoxy-chalcone |
| Molecular Formula | C16H14O4 |
| Chemical Class | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Molecular Weight | 270.089 g/mol |
| Other names |
Representations
| Smiles | COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1 |
| Inchi | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ |
| Inchi Key | NYSZJNUIVUBQMM-BQYQJAHWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.00 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 2 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9791 | Zuccagnia punctata | No | High | Pederiva, R., & Giordano, O. S. (1984). 37-Dihydroxy-8-methoxyflavone from Zuccagnia punctata. Phytochemistry, 23(6), 1340–1341. https://doi.org/10.1016/s0031-9422(00)80459-8 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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