General Characteristics
| NatID | 521 |
| Common Name | NatID_521 |
| Molecular Formula | C17H20O4 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 288.136 g/mol |
| Other names |
Representations
| Smiles | CC(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C |
| Inchi | InChI=1S/C17H20O4/c1-9-8-20-15-13(9)16(21-11(3)18)17(4)10(2)6-5-7-12(17)14(15)19/h7-8,10,16H,5-6H2,1-4H3/t10-,16+,17+/m0/s1 |
| Inchi Key | FAZNZOQAEBFDJI-LZVXQISVSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.75 |
| TPSA | 56.51 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 1 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9889 | Senecio gilliesianus | No | High | Guidugli, F. H., Pestchanker, M. J., De Salmeron, M. S. A., & Giordano, O. S. (1986). 1-Hydroxyplatyphyllide, a norsesquiterpene lactone from Senecio gilliesiano. Phytochemistry, 25(8), 1923–1926. https://doi.org/10.1016/s0031-9422(00)81175-9 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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