General Characteristics
| NatID | 1454 |
| Common Name | NatID_1454 |
| Molecular Formula | C16H14O5 |
| Chemical Class | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Molecular Weight | 286.084 g/mol |
| Other names | 56121-43-8 |
Representations
| Smiles | COc1cc(O)cc(O)c1C(=O)C=Cc1ccc(O)cc1 |
| Inchi | InChI=1S/C16H14O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,17-18,20H,1H3 |
| Inchi Key | OWGUBYRKZATRIT-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.71 |
| TPSA | 86.99 |
| HBD | 3 |
| HBA | 5 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 2 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10090 | Achyrocline flaccida | No | Low | Norbedo, C., Ferraro, G., & Coussio, J. D. (1982). A New Flavanone From Achyrocline flaccida. Journal of Natural Products, 45(5), 635–636. https://doi.org/10.1021/np50023a020 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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