General Characteristics
2D structure
NatID 1297
Common Name NatID_1297
Molecular Formula C15H24O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 220.183 g/mol
Other names

 

Representations
Smiles CC1=CC[C@@]23C[C@@H]1[C@@](C)(CO)[C@@H]2CC[C@H]3C
Inchi InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
Inchi Key PPTXKCYXNDLKTQ-FQKPHLNHSA-N
3D Structure

 

Calculated Properties
clogP 3.39
TPSA 20.23
HBD 1
HBA 1
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9604 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