General Characteristics
| NatID | 472 |
| Common Name | 1,8-cineole |
| Molecular Formula | C10H18O |
| Chemical Class | Oxanes |
| Molecular Weight | 154.136 g/mol |
| Other names |
Representations
| Smiles | CC1(C)O[C@]2(C)CC[C@H]1CC2 |
| Inchi | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ |
| Inchi Key | WEEGYLXZBRQIMU-WAAGHKOSSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.74 |
| TPSA | 9.23 |
| HBD | 0 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 11 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9975 | Gaillardia megapotamica var. scabiosoides | No | Unknown | Adams, A., Rosella, M. A., Spegazzini, E. D., Debenedetti, S. L., & De Kimpe, N. (2008). Composition of Essential Oils ofGaillardia megapotamicaandGaillardia cabreraefrom Argentina. Journal of Essential Oil Research, 20(6), 521–524. https://doi.org/10.1080/10412905.2008.9700078 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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