General Characteristics
2D structure
NatID 405
Common Name Undefined (compound 8)
Molecular Formula C16H20O6
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 308.126 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](O)[C@@H](O)[C@@H]12
Inchi InChI=1S/C16H20O6/c1-8-5-4-6-10(16(20)21-3)13(17)14(18)12-9(2)15(19)22-11(12)7-8/h6-7,11-14,17-18H,2,4-5H2,1,3H3/t11-,12+,13+,14+/m1/s1
Inchi Key LZEXZCOZZNJRBO-RFGFWPKPSA-N
3D Structure

 

Calculated Properties
clogP 0.65
TPSA 93.06
HBD 2
HBA 6
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10000 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