General Characteristics
| NatID | 516 |
| Common Name | kurdiol |
| Molecular Formula | C15H26O2 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 238.193 g/mol |
| Other names |
Representations
| Smiles | C=C1CCCC2CCC(C(C)(O)CO)C[C@]12C |
| Inchi | InChI=1S/C15H26O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h12-13,16-17H,1,4-10H2,2-3H3/t12?,13?,14-,15?/m1/s1 |
| Inchi Key | QEXPUVRSAOFPKW-MIGSVPMKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.89 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9705 | Flourensia oolepis | No | Unknown | Donadel, O. J., Guerreiro, E., María, A. O., Wendel, G., Enriz, R. D., Giordano, O. S., & Tonn, C. E. (2005). Gastric cytoprotective activity of ilicic aldehyde: Structure–activity relationships. Bioorganic & Medicinal Chemistry Letters, 15(15), 3547–3550. https://doi.org/10.1016/j.bmcl.2005.05.053 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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