General Characteristics
| NatID | 1405 |
| Common Name | NatID_1405 |
| Molecular Formula | C16H14O4 |
| Chemical Class | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Molecular Weight | 270.089 g/mol |
| Other names |
Representations
| Smiles | COc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O |
| Inchi | InChI=1S/C16H14O4/c1-20-16-14(18)10-8-12(15(16)19)13(17)9-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b9-7+ |
| Inchi Key | RMVZCGQXCSTLFG-VQHVLOKHSA-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 |
|---|---|---|---|---|
| 10026 | Zuccagnia punctata | No | High | Svetaz, L., Agüero, M., Alvarez, S., Luna, L., Feresin, G., Derita, M., Tapia, A., & Zacchino, S. (2007). Antifungal Activity of Zuccagnia punctata Cav.: Evidence for the Mechanism of Action. Planta Medica, 73(10), 1074–1080. https://doi.org/10.1055/s-2007-981561 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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