General Characteristics
| NatID | 44 |
| Common Name | Psilostachyin B |
| Molecular Formula | C15H18O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 262.121 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1CCC(=O)O[C@]12C |
| Inchi | InChI=1S/C15H18O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h10,13H,2,4-7H2,1,3H3/t10-,13+,15+/m0/s1 |
| Inchi Key | IOGFBFUSBVLQMS-PSOPSSQASA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.29 |
| TPSA | 52.60 |
| 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 |
|---|---|---|---|---|
| 9250 | 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 |
| 9297 | 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 |
|---|---|---|---|---|
| Loading... | ||||