General Characteristics
| NatID | 1294 |
| Common Name | NatID_1294 |
| Molecular Formula | C15H24O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 220.183 g/mol |
| Other names | 77171-55-2 |
Representations
| Smiles | C=C1CC[C@H]2[C@@H]([C@@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C |
| Inchi | InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m1/s1 |
| Inchi Key | FRMCCTDTYSRUBE-HYFYGGESSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.39 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9601 | 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 |
| 10347 | Porella chilensis | No | Low | Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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