General Characteristics
2D structure
NatID 1296
Common Name NatID_1296
Molecular Formula C15H24O
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 220.183 g/mol
Other names

 

Representations
Smiles CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(/C)CO
Inchi InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-/t13-,14-,15+/m0/s1
Inchi Key JGINTSAQGRHGMG-NLJYZETGSA-N
3D Structure

 

Calculated Properties
clogP 3.70
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9603 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