General Characteristics
2D structure
NatID 615
Common Name NatID_615
Molecular Formula C18H32O2Si
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 308.217 g/mol
Other names

 

Representations
Smiles C=C(C=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O[Si](C)(C)C)[C@@H]2C1
Inchi InChI=1S/C18H32O2Si/c1-14(13-19)15-8-11-17(2)9-7-10-18(3,16(17)12-15)20-21(4,5)6/h13,15-16H,1,7-12H2,2-6H3/t15-,16-,17-,18-/m1/s1
Inchi Key UBLNKBPILVNREJ-BRSBDYLESA-N
3D Structure

 

Calculated Properties
clogP 4.96
TPSA 26.30
HBD 0
HBA 2
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 21
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9703 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