General Characteristics
2D structure
NatID 1041
Common Name NatID_1041
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-NTMALXAHSA-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
9172 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
9210 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
9592 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