General Characteristics
| NatID | 1039 |
| Common Name | NatID_1039 |
| Molecular Formula | C10H16 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 136.125 g/mol |
| Other names |
Representations
| Smiles | C=C/C(C)=C/CC=C(C)C |
| Inchi | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+ |
| Inchi Key | IHPKGUQCSIINRJ-CSKARUKUSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.48 |
| TPSA | 0.00 |
| HBD | 0 |
| HBA | 0 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 10 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 0 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9170 | Aristolochia argentina | No | Very High | Priestap, H. A., van Baren, C. M., Di Leo Lira, P., Coussio, J. D., & Bandoni, A. L. (2003). Volatile constituents of Aristolochia argentina. Phytochemistry, 63(2), 221–225. https://doi.org/10.1016/s0031-9422(02)00751-3 |
| 9209 | Lippia integrifolia | No | Unknown | del C. Coronel, A., Cerda-García-Rojas, C. M., Joseph-Nathan, P., & Catalán, C. A. N. (2006). Chemical composition, seasonal variation and a new sesquiterpene alcohol from the essential oil ofLippia integrifolia. Flavour and Fragrance Journal, 21(5), 839–847. https://doi.org/10.1002/ffj.1736 |
| 9912 | Gutierrezia mandonii | No | Unknown | Clemente, S. V., Mareggiani, G., Juárez, B. E., Mendiondo, M. E., van Baren, C. M., Lira, P. D. L., Broussalis, A. M., Bandoni, A. L., & Ferraro, G. E. (2008). Insecticidal Activity of the Essential Oil and Extracts ofGutierrezia mandoniiandG. repens(Asteraceae) Growing in Argentina. Journal of Essential Oil Research, 20(3), 276–278. https://doi.org/10.1080/10412905.2008.9700011 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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