General Characteristics
| NatID | 46 |
| Common Name | Dihydroparthenolide |
| Molecular Formula | C15H22O3 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 250.157 g/mol |
| Other names |
Representations
| Smiles | CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 |
| Inchi | InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/t10-,11-,12-,13+,15+/m0/s1 |
| Inchi Key | GSVWPONNFJXHJL-XOBFJNJYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.84 |
| TPSA | 38.83 |
| HBD | 0 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9296 | 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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