General Characteristics
| NatID | 1565 |
| Common Name | NatID_1565 |
| Molecular Formula | C10H18O |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 154.136 g/mol |
| Other names | 78-70-6 |
Representations
| Smiles | C=CC(C)(O)CCC=C(C)C |
| Inchi | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
| Inchi Key | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.67 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 0 |
| Heavy Atoms | 11 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10249 | Blepharocalyx salicifolius | No | Low | Talenti, E. C., Taher, H. A., & Ubiergo, G. O. (1984). Constituents of the Essential Oil of Blepharocalyx tweediei. Journal of Natural Products, 47(5), 905–906. https://doi.org/10.1021/np50035a036 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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