General Characteristics
| NatID | 39 |
| Common Name | Altamisin |
| Molecular Formula | C17H24O5 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 308.162 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C(CCC(=O)OCC)[C@@]2(C)O |
| Inchi | InChI=1S/C17H24O5/c1-5-21-14(18)9-8-13-10(2)6-7-12-11(3)16(19)22-15(12)17(13,4)20/h12,15,20H,3,5-9H2,1-2,4H3/t12-,15+,17+/m0/s1 |
| Inchi Key | UBODNQTWXZCHMY-XGWLTEMNSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.29 |
| TPSA | 72.83 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9249 | Ambrosia tenuifolia | No | Very High | Oberti, J. C., Silva, G. L., Sosa, V. E., Kulanthaivel, P., & Herz, W. (1986). Ambrosanolides and secoambrosanolides from Ambrosia tenuifolia. Phytochemistry, 25(6), 1355–1358. https://doi.org/10.1016/s0031-9422(00)81289-3 |
| 9298 | Ambrosia artemisiifolia var. elatior | No | Unknown | Silva, G. L., Oberti, J. C., & Herz, W. (1992). Sesquiterpene lactones and other constituents of argentine Ambrosia species. Phytochemistry, 31(3), 859–861. https://doi.org/10.1016/0031-9422(92)80029-e |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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