General Characteristics
| NatID | 41 |
| Common Name | Peruvin |
| Molecular Formula | C15H20O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 264.136 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3(O)CCC(=O)[C@@]3(C)C[C@H]12 |
| Inchi | InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)19-11)7-14(3)12(16)4-5-15(8,14)18/h8,10-11,18H,2,4-7H2,1,3H3/t8-,10+,11+,14+,15+/m0/s1 |
| Inchi Key | JPWMRQZYTCWJHW-SAPLOEGBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.61 |
| TPSA | 63.60 |
| HBD | 1 |
| 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 |
|---|---|---|---|---|
| 9253 | 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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