General Characteristics
| NatID | 326 |
| Common Name | (10αH)-1α,6β-diacetoxyfuranoeremophilan-9-one |
| Molecular Formula | C19H24O6 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 348.157 g/mol |
| Other names |
Representations
| Smiles | CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12 |
| Inchi | InChI=1S/C19H24O6/c1-9-8-23-17-14(9)18(25-12(4)21)19(5)10(2)6-7-13(24-11(3)20)15(19)16(17)22/h8,10,13,15,18H,6-7H2,1-5H3/t10-,13-,15-,18+,19+/m0/s1 |
| Inchi Key | FBUJYYRONHLNQF-JTGGRASYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.37 |
| TPSA | 82.81 |
| HBD | 0 |
| HBA | 6 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9524 | Senecio santelisis | No | Very High | Arias Cassará, M. L., Borkosky, S. A., Sierra, M. G., Bardón, A., & Ybarra, M. I. (2010). Two New Furanoeremophilanes from Senecio santelisis. Chemistry & Biodiversity, 7(7), 1745–1753. https://doi.org/10.1002/cbdv.200900080 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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