General Characteristics
| NatID | 1305 |
| Common Name | NatID_1305 |
| Molecular Formula | C23H24O5 |
| Chemical Class | Cinnamic acids and derivatives > Cinnamic acids |
| Molecular Weight | 380.162 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccc(O)cc1 |
| Inchi | InChI=1S/C23H24O5/c1-16(2)3-9-19-15-18(7-13-22(25)26)6-12-21(19)28-23(27)14-8-17-4-10-20(24)11-5-17/h3-7,10-13,15,24H,8-9,14H2,1-2H3,(H,25,26)/b13-7+ |
| Inchi Key | DEICLPOPLCYVIF-NTUHNPAUSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.54 |
| TPSA | 83.83 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 8 |
| Aromatic Rings | 2 |
| Heavy Atoms | 28 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9621 | Baccharis grisebachii | No | Very High | Feresin, G. E., Tapia, A., Gimenez, A., Ravelo, A. G., Zacchino, S., Sortino, M., & Schmeda-Hirschmann, G. (2003). Constituents of the Argentinian medicinal plant Baccharis grisebachii and their antimicrobial activity. Journal of Ethnopharmacology, 89(1), 73–80. https://doi.org/10.1016/s0378-8741(03)00259-9 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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