General Characteristics
2D structure
NatID 337
Common Name Enhydrin
Molecular Formula C23H28O10
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 464.168 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@@H](OC(C)=O)C(C(=O)OC)=CCC[C@@]1(C)O[C@H]21
Inchi InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/t11-,14-,15+,16+,17+,18-,22-,23-/m1/s1
Inchi Key VCBNPTWPJQLHQN-AVZXMLSNSA-N
3D Structure

 

Calculated Properties
clogP 1.16
TPSA 130.26
HBD 0
HBA 10
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 33
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
9976 Smallanthus sonchifolius No High Frank, F. M., Ulloa, J., Cazorla, S. I., Maravilla, G., Malchiodi, E. L., Grau, A., Martino, V., Catalán, C., & Muschietti, L. V. (2013). Trypanocidal Activity ofSmallanthus sonchifolius: Identification of Active Sesquiterpene Lactones by Bioassay-Guided Fractionation. Evidence-Based Complementary and Alternative Medicine, 2013, 1–8. https://doi.org/10.1155/2013/627898

 

Bioassay ID NPASS ID Target Activity type Activity