General Characteristics
| NatID | 615 |
| Common Name | NatID_615 |
| Molecular Formula | C18H32O2Si |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 308.217 g/mol |
| Other names |
Representations
| Smiles | C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[Si](C)(C)C)[C@@H]2C1 |
| Inchi | InChI=1S/C18H32O2Si/c1-14(13-19)15-8-11-17(2)9-7-10-18(3,16(17)12-15)20-21(4,5)6/h13,15-16H,1,7-12H2,2-6H3/t15-,16-,17-,18-/m1/s1 |
| Inchi Key | UBLNKBPILVNREJ-BRSBDYLESA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.96 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9703 | 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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