General Characteristics
2D structure
NatID 614
Common Name costic aldehyde
Molecular Formula C15H22O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 218.167 g/mol
Other names

 

Representations
Smiles C=C(C=O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
Inchi InChI=1S/C15H22O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h10,13-14H,1-2,4-9H2,3H3/t13-,14+,15-/m1/s1
Inchi Key QTCANKDTWWSCMR-QLFBSQMISA-N
3D Structure

 

Calculated Properties
clogP 3.90
TPSA 17.07
HBD 0
HBA 1
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 1

 

Experiments
EID Source Semisynthetic? Confidence level References
9697 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