General Characteristics
| NatID | 1666 |
| Common Name | NatID_1666 |
| Molecular Formula | C15H20O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 264.136 g/mol |
| Other names | 2571-81-5 |
Representations
| Smiles | C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21C |
| Inchi | InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1 |
| Inchi Key | GEUJJEYGSRWXPC-JISBIHODSA-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 |
|---|---|---|---|---|
| 10369 | Abobra tenuifolia | No | Low | Silva, G. L., & Goleniowski, M. E. (1994). Stimulants and Inhibitors of Psilostachyinolide Production in Callus Culture. Journal of Natural Products, 57(2), 225–229. https://doi.org/10.1021/np50104a005 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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