General Characteristics
| NatID | 536 |
| Common Name | NatID_536 |
| Molecular Formula | C14H16O2 |
| Chemical Class | Naphthalenes > Naphthalenecarboxylic acids and derivatives |
| Molecular Weight | 216.115 g/mol |
| Other names |
Representations
| Smiles | CC(C)[C@H]1CCc2cccc3c2[C@H]1OC3=O |
| Inchi | InChI=1S/C14H16O2/c1-8(2)10-7-6-9-4-3-5-11-12(9)13(10)16-14(11)15/h3-5,8,10,13H,6-7H2,1-2H3/t10-,13+/m1/s1 |
| Inchi Key | UABXPTFMYJNDPH-MFKMUULPSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.12 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 1 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9888 | 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 |
|---|---|---|---|---|
| Loading... | ||||