General Characteristics
2D structure
NatID 516
Common Name kurdiol
Molecular Formula C15H26O2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 238.193 g/mol
Other names

 

Representations
Smiles C=C1CCCC2CCC(C(C)(O)CO)C[C@]12C
Inchi InChI=1S/C15H26O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h12-13,16-17H,1,4-10H2,2-3H3/t12?,13?,14-,15?/m1/s1
Inchi Key QEXPUVRSAOFPKW-MIGSVPMKSA-N
3D Structure

 

Calculated Properties
clogP 2.89
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9705 Flourensia oolepis No Unknown Donadel, O. J., Guerreiro, E., María, A. O., Wendel, G., Enriz, R. D., Giordano, O. S., & Tonn, C. E. (2005). Gastric cytoprotective activity of ilicic aldehyde: Structure–activity relationships. Bioorganic & Medicinal Chemistry Letters, 15(15), 3547–3550. https://doi.org/10.1016/j.bmcl.2005.05.053

 

Bioassay ID NPASS ID Target Activity type Activity