General Characteristics
2D structure
NatID 1677
Common Name NatID_1677
Molecular Formula C15H26O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 222.198 g/mol
Other names 1119-38-6

 

Representations
Smiles C=C[C@@](C)(O)CC/C=C(\C)CCC=C(C)C
Inchi InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1
Inchi Key FQTLCLSUCSAZDY-ATGUSINASA-N
3D Structure

 

Calculated Properties
clogP 4.40
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 7
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
10396 Lippia integrifolia No Low Catalán, C. A. N., de Lampasona, M. E. P., Cerda-García-Rojas, C. M., & Joseph-Nathan, P. (1995). Trace Constituents of Lippia integrifolia. Journal of Natural Products, 58(11), 1713–1717. https://doi.org/10.1021/np50125a010

 

Bioassay ID NPASS ID Target Activity type Activity