General Characteristics
2D structure
NatID 1299
Common Name NatID_1299
Molecular Formula C15H28
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 208.219 g/mol
Other names

 

Representations
Smiles CC(C)[C@@H]1CC[C@@]2(C)CCC[C@H](C)[C@@H]2C1
Inchi InChI=1S/C15H28/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h11-14H,5-10H2,1-4H3/t12-,13+,14-,15+/m0/s1
Inchi Key DYEQPYSFRWUNNV-LJISPDSOSA-N
3D Structure

 

Calculated Properties
clogP 4.89
TPSA 0.00
HBD 0
HBA 0
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 15
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 0

 

Experiments
EID Source Semisynthetic? Confidence level References
9606 Flourensia oolepis No Very High García, M., Gonzalez-Coloma, A., Donadel, O. J., Ardanaz, C. E., Tonn, C. E., & Sosa, M. E. (2007). Insecticidal effects of Flourensia oolepis Blake (Asteraceae) essential oil. Biochemical Systematics and Ecology, 35(4), 181–187. https://doi.org/10.1016/j.bse.2006.10.009

 

Bioassay ID NPASS ID Target Activity type Activity