General Characteristics
2D structure
NatID 1564
Common Name NatID_1564
Molecular Formula C10H16
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 136.125 g/mol
Other names 138-86-3

 

Representations
Smiles C=C(C)C1CC=C(C)CC1
Inchi InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
Inchi Key XMGQYMWWDOXHJM-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.31
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 10
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
10248 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