General Characteristics
| NatID | 1229 |
| Common Name | NatID_1229 |
| Molecular Formula | C19H20O4 |
| Chemical Class | Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| Molecular Weight | 312.136 g/mol |
| Other names |
Representations
| Smiles | C[C@@H](CCc1ccc(O)cc1)OC(=O)/C=C/c1ccc(O)cc1 |
| Inchi | InChI=1S/C19H20O4/c1-14(2-3-15-4-9-17(20)10-5-15)23-19(22)13-8-16-6-11-18(21)12-7-16/h4-14,20-21H,2-3H2,1H3/b13-8+/t14-/m0/s1 |
| Inchi Key | FIDZLIBBOVUFDF-CZAWJFPGSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.68 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 6 |
| Aromatic Rings | 2 |
| Heavy Atoms | 23 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9492 | Zuccagnia punctata | No | Very High | Svetaz, L., Tapia, A., López, S. N., Furlán, R. L. E., Petenatti, E., Pioli, R., Schmeda-Hirschmann, G., & Zacchino, S. A. (2004). Antifungal Chalcones and New Caffeic Acid Esters from Zuccagnia punctata Acting against Soybean Infecting Fungi. Journal of Agricultural and Food Chemistry, 52(11), 3297–3300. https://doi.org/10.1021/jf035213x |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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