General Characteristics
| NatID | 380 |
| Common Name | 8-Acetyl-13-Ethoxy-Piptocarphol |
| Molecular Formula | C19H26O8 |
| Chemical Class | Dihydrofurans > Furanones |
| Molecular Weight | 382.163 g/mol |
| Other names | 103444-96-8 |
Representations
| Smiles | CCOCC1=C2C(=CC3(C)CCC(O)(O3)C(C)(O)CC2OC(C)=O)OC1=O |
| Inchi | InChI=1S/C19H26O8/c1-5-24-10-12-15-13(26-16(12)21)8-17(3)6-7-19(23,27-17)18(4,22)9-14(15)25-11(2)20/h8,14,22-23H,5-7,9-10H2,1-4H3 |
| Inchi Key | HODSXGNLSBTPSP-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.10 |
| TPSA | 111.52 |
| HBD | 2 |
| HBA | 8 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10068 | Lessingianthus mollissimus | No | Unknown | Catalán, C. A. N., de Iglesias, D. I. A., Kavka, J., Sosa, V. E., & Herz, W. (1986). Sesquiterpene Lactones and Other Constituents of Vernonia mollissima and Vernonia squamulosa. Journal of Natural Products, 49(2), 351–353. https://doi.org/10.1021/np50044a031 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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