General Characteristics
| NatID | 1298 |
| Common Name | NatID_1298 |
| Molecular Formula | C15H24 |
| Chemical Class | Unsaturated hydrocarbons > Branched unsaturated hydrocarbons |
| Molecular Weight | 204.188 g/mol |
| Other names |
Representations
| Smiles | C=CC1(C)CCC2C(CC2(C)C)C(=C)C1 |
| Inchi | InChI=1S/C15H24/c1-6-15(5)8-7-13-12(11(2)9-15)10-14(13,3)4/h6,12-13H,1-2,7-10H2,3-5H3 |
| Inchi Key | FITHEODIIYWPLM-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.58 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 0 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9605 | 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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