General Characteristics
2D structure
NatID 1566
Common Name NatID_1566
Molecular Formula C10H16
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 136.125 g/mol
Other names 80-56-8

 

Representations
Smiles CC1=CCC2CC1C2(C)C
Inchi InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Inchi Key GRWFGVWFFZKLTI-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.00
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 10
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
10250 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