General Characteristics
| NatID | 433 |
| Common Name | Strictanonic acid |
| Molecular Formula | C20H32O5 |
| Chemical Class | Isobenzofurans |
| Molecular Weight | 352.225 g/mol |
| Other names |
Representations
| Smiles | CC(=O)C[C@H]1O[C@]2(CC[C@@](C)(CC(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 |
| Inchi | InChI=1S/C20H32O5/c1-13(21)11-14-16-17(2,3)7-6-8-19(16,5)20(24-14)10-9-18(4,25-20)12-15(22)23/h14,16H,6-12H2,1-5H3,(H,22,23)/t14-,16+,18+,19+,20+/m1/s1 |
| Inchi Key | FKFUHHRKZZBUFR-KXAOQFNBSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.94 |
| TPSA | 72.83 |
| HBD | 1 |
| HBA | 4 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9832 | Grindelia chiloensis | No | High | de los A. Mesurado, M., Arias Cassará, M. L., Misico, R., Bardón, A., Ybarra, M. I., & Cartagena, E. (2017). A New Depigmenting-Antifungal Methylated Grindelane from Grindelia chiloensis. Chemistry & Biodiversity, 14(5), e1600426. Portico. https://doi.org/10.1002/cbdv.201600426 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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