General Characteristics
2D structure
NatID 25
Common Name Dihydroniveusin B
Molecular Formula C20H28O7
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 380.184 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)CC[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3
Inchi InChI=1S/C20H28O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h8,11,14-16,21,24H,3,5-7,9-10H2,1-2,4H3/t11-,14-,15-,16+,19-,20-/m1/s1
Inchi Key JTSKIMMXAAHGJK-KUBTZLGMSA-N
3D Structure

 

Calculated Properties
clogP 1.62
TPSA 102.29
HBD 2
HBA 7
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 27
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9776 Aldama tucumanensis No High Meragelman, K. M., Espinar, L. A., Sosa, V. E., Uriburu, M. L., & de la Fuente, J. R. (1996). Terpenoid constituents of Viguiera tucumanensis. Phytochemistry, 41(2), 499–502. https://doi.org/10.1016/0031-9422(95)00584-6

 

Bioassay ID NPASS ID Target Activity type Activity