General Characteristics
| NatID | 1291 |
| Common Name | NatID_1291 |
| Molecular Formula | C15H26O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 222.198 g/mol |
| Other names |
Representations
| Smiles | CC1=C[C@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(O)CC1 |
| Inchi | InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1 |
| Inchi Key | COGPRPSWSKLKTF-CBBWQLFWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.78 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9598 | Flourensia oolepis | No | Very High | García, M., Gonzalez-Coloma, A., Donadel, O. J., Ardanaz, C. E., Tonn, C. E., & Sosa, M. E. (2007). Insecticidal effects of Flourensia oolepis Blake (Asteraceae) essential oil. Biochemical Systematics and Ecology, 35(4), 181–187. https://doi.org/10.1016/j.bse.2006.10.009 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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