General Characteristics
2D structure
NatID 1565
Common Name NatID_1565
Molecular Formula C10H18O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 154.136 g/mol
Other names 78-70-6

 

Representations
Smiles C=CC(C)(O)CCC=C(C)C
Inchi InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
Inchi Key CDOSHBSSFJOMGT-UHFFFAOYSA-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
10249 Blepharocalyx salicifolius No Low Talenti, E. C., Taher, H. A., & Ubiergo, G. O. (1984). Constituents of the Essential Oil of Blepharocalyx tweediei. Journal of Natural Products, 47(5), 905–906. https://doi.org/10.1021/np50035a036

 

Bioassay ID NPASS ID Target Activity type Activity