General Characteristics
2D structure
NatID 1700
Common Name NatID_1700
Molecular Formula C10H18O2
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 170.131 g/mol
Other names 4031-55-4

 

Representations
Smiles CC1=C[C@H](O)[C@@H](C(C)C)C[C@@H]1O
Inchi InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1
Inchi Key CDEBGVXOFDWUAF-UTLUCORTSA-N
3D Structure

 

Calculated Properties
clogP 1.33
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 12
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10420 Mikania saltensis No Low Cuenca, M. D. R., Catalan, C. A. N., Díaz, J. G., & Herz, W. (1991). Monoterpenes and Lignans from Mikania saltensis. Journal of Natural Products, 54(4), 1162–1164. https://doi.org/10.1021/np50076a047

 

Bioassay ID NPASS ID Target Activity type Activity