General Characteristics
| NatID | 40 |
| Common Name | Altamisic acid |
| Molecular Formula | C15H20O5 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 280.131 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C(CCC(=O)O)[C@@]2(C)O |
| Inchi | InChI=1S/C15H20O5/c1-8-4-5-10-9(2)14(18)20-13(10)15(3,19)11(8)6-7-12(16)17/h10,13,19H,2,4-7H2,1,3H3,(H,16,17)/t10-,13+,15+/m0/s1 |
| Inchi Key | PPUVIGSDWLRHCY-PSOPSSQASA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.81 |
| TPSA | 83.83 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9248 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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