General Characteristics
2D structure
NatID 1034
Common Name NatID_1034
Molecular Formula C11H18
Chemical Class Unsaturated hydrocarbons > Olefins
Molecular Weight 150.141 g/mol
Other names

 

Representations
Smiles C=C/C=C/C=C\CCCCC
Inchi InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9-
Inchi Key JQQDKNVOSLONRS-STRRHFTISA-N
3D Structure

 

Calculated Properties
clogP 3.87
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 6
Aromatic Rings 0
Heavy Atoms 11
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
9162 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

 

Bioassay ID NPASS ID Target Activity type Activity