General Characteristics
| NatID | 280 |
| Common Name | 6α-Acetyloxy- 10βH-furanoeremophil- 1-one |
| Molecular Formula | C17H22O4 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 290.152 g/mol |
| Other names |
Representations
| Smiles | CC(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C |
| Inchi | InChI=1S/C17H22O4/c1-9-8-20-14-7-12-13(19)6-5-10(2)17(12,4)16(15(9)14)21-11(3)18/h8,10,12,16H,5-7H2,1-4H3/t10-,12-,16-,17+/m0/s1 |
| Inchi Key | UBOCVBLWMPLUFQ-OUUZYCIPSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.37 |
| TPSA | 56.51 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 1 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10028 | Senecio filaginoides | No | Unknown | de Salmeron, M., Kavka, J., & Giordano, O. (1983). Furanoeremophilanes inSenecio filaginoidesandS. pinnatus. Planta Medica, 47(04), 221–223. https://doi.org/10.1055/s-2007-969991 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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