General Characteristics
2D structure
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