General Characteristics
2D structure
NatID 400
Common Name Undefined (compound 2)
Molecular Formula C22H28O10
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 452.168 g/mol
Other names

 

Representations
Smiles C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)(O)CO)C12
Inchi InChI=1S/C22H28O10/c1-11-7-6-8-14(20(26)29-5)17(30-13(3)24)18(32-21(27)22(4,28)10-23)16-12(2)19(25)31-15(16)9-11/h8-9,15-18,23,28H,2,6-7,10H2,1,3-5H3
Inchi Key SYHYRAPXFAFMOF-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 0.51
TPSA 145.66
HBD 2
HBA 10
Rotatable Bonds 5
Aromatic Rings 0
Heavy Atoms 32
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
9997 Enydra fluctuans No High Bardón, A., Cardona, L., Cartagena, E., Catalán, C. A. N., & Pedro, J. R. (2001). Melampolides from Enydra anagallis. Phytochemistry, 57(1), 125–130. https://doi.org/10.1016/s0031-9422(00)00500-8

 

Bioassay ID NPASS ID Target Activity type Activity