General Characteristics
| NatID | 1147 |
| Common Name | NatID_1147 |
| Molecular Formula | C19H26O8 |
| Chemical Class | Dihydrofurans > Furanones |
| Molecular Weight | 382.163 g/mol |
| Other names |
Representations
| Smiles | CCOCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(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/b13-8+/t14-,17+,18+,19-/m0/s1 |
| Inchi Key | HODSXGNLSBTPSP-NPELAJNESA-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 |
|---|---|---|---|---|
| 9343 | Baccharis scandens | No | Unknown | Borkosky, S., Valdés, D. A., Bardón, A., Díaz, J. G., & Herz, W. (1996). Sesquiterpene lactones and other constituents of eirmocephala megaphylla and Cyrtocymura cincta. Phytochemistry, 42(6), 1637–1639. https://doi.org/10.1016/0031-9422(96)82943-8 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||