General Characteristics
2D structure
NatID 472
Common Name 1,8-cineole
Molecular Formula C10H18O
Chemical Class Oxanes
Molecular Weight 154.136 g/mol
Other names

 

Representations
Smiles CC1(C)O[C@]2(C)CC[C@H]1CC2
Inchi InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
Inchi Key WEEGYLXZBRQIMU-WAAGHKOSSA-N
3D Structure

 

Calculated Properties
clogP 2.74
TPSA 9.23
HBD 0
HBA 1
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 11
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9975 Gaillardia megapotamica var. scabiosoides No Unknown Adams, A., Rosella, M. A., Spegazzini, E. D., Debenedetti, S. L., & De Kimpe, N. (2008). Composition of Essential Oils ofGaillardia megapotamicaandGaillardia cabreraefrom Argentina. Journal of Essential Oil Research, 20(6), 521–524. https://doi.org/10.1080/10412905.2008.9700078

 

Bioassay ID NPASS ID Target Activity type Activity