General Characteristics
| NatID | 540 |
| Common Name | 1β,10β-epoxydehydroleucodin |
| Molecular Formula | C15H16O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 260.105 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2C3C(C)=CC(=O)[C@@]34O[C@@]4(C)CC[C@@H]12 |
| Inchi | InChI=1S/C15H16O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,9,11-12H,2,4-5H2,1,3H3/t9-,11?,12-,14-,15+/m0/s1 |
| Inchi Key | BMKQABSFWXAOAI-HLWCAGJTSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.55 |
| TPSA | 55.90 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9981 | Artemisia douglasiana | No | High | Rodriguez, G., Pestchanker, L. J., Pestchanker, M. J., & Giordano, O. S. (1990). Guaianolides and other constituents from Artemisia douglasiana. Phytochemistry, 29(9), 3028–3029. https://doi.org/10.1016/0031-9422(90)87129-i |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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