General Characteristics
| NatID | 534 |
| Common Name | NatID_534 |
| Molecular Formula | C14H16O3 |
| Chemical Class | Naphthalenes > Naphthalenecarboxylic acids and derivatives |
| Molecular Weight | 232.110 g/mol |
| Other names |
Representations
| Smiles | CC(C)[C@H]1CCc2c(O)ccc3c2[C@H]1OC3=O |
| Inchi | InChI=1S/C14H16O3/c1-7(2)8-3-4-9-11(15)6-5-10-12(9)13(8)17-14(10)16/h5-8,13,15H,3-4H2,1-2H3/t8-,13+/m1/s1 |
| Inchi Key | LUFWQCXBDIXITO-OQPBUACISA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.82 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 1 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9887 | 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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