General Characteristics
| NatID | 1471 |
| Common Name | NatID_1471 |
| Molecular Formula | C23H32O4 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 372.230 g/mol |
| Other names | 169340-03-8 |
Representations
| Smiles | COc1cc(C)c2c(c1)CCC(C)(CC/C=C(\C)CC/C=C(/C)C(=O)O)O2 |
| Inchi | InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10- |
| Inchi Key | AABSZBMLGKTAOK-IPPJXQLGSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.62 |
| TPSA | 55.76 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 8 |
| Aromatic Rings | 1 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10110 | Hubera cerasoides | No | Low | Bermejo, A., Collado, A., Barrachina, I., Marqués, P., El Aouad, N., Franck, X., Garibotto, F., Dacquet, C., Caignard, D. H., Suvire, F. D., Enriz, R. D., Piqueras, L., Figadère, B., Sanz, M.-J., Cabedo, N., & Cortes, D. (2019). Polycerasoidol, a Natural Prenylated Benzopyran with a Dual PPARα/PPARγ Agonist Activity and Anti-inflammatory Effect. Journal of Natural Products, 82(7), 1802–1812. https://doi.org/10.1021/acs.jnatprod.9b00003 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||