General Characteristics
2D structure
NatID 1175
Common Name NatID_1175
Molecular Formula C10H18O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 154.136 g/mol
Other names

 

Representations
Smiles CC(C)=CCC/C(C)=C/CO
Inchi InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
Inchi Key GLZPCOQZEFWAFX-JXMROGBWSA-N
3D Structure

 

Calculated Properties
clogP 2.67
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 11
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9418 Helenium argentinum No Very High Zunino, M. P., Newton, M. N., Maestri, D. M., Zygadlo, J. A., & Espinar, L. A. (1998). Essential Oil ofHelenium argentinumAriza. Journal of Essential Oil Research, 10(6), 651–653. https://doi.org/10.1080/10412905.1998.9700999

 

Bioassay ID NPASS ID Target Activity type Activity