General Characteristics
2D structure
NatID 102
Common Name (2S)-2’,4’-Dihydroxy-5’-(1’’’,1’’’-dimethylallyl)-8-prenylpinocembrin)
Molecular Formula C25H28O6
Chemical Class Flavonoids > Flavans
Molecular Weight 424.189 g/mol
Other names

 

Representations
Smiles C=CC(C)(C)c1cc(C2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)c(O)cc1O
Inchi InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(17(26)10-19(16)28)21-12-20(29)23-22(31-21)11-18(27)14(24(23)30)8-7-13(2)3/h6-7,9-11,21,26-28,30H,1,8,12H2,2-5H3
Inchi Key FAZILTFMKCGRKR-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 5.19
TPSA 107.22
HBD 4
HBA 6
Rotatable Bonds 5
Aromatic Rings 2
Heavy Atoms 31
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9411 Dalea elegans No Very High Peralta, M. A., da Silva, M. A., Ortega, M. G., Cabrera, J. L., & Paraje, M. G. (2015). Antifungal activity of a prenylated flavonoid from Dalea elegans against Candida albicans biofilms. Phytomedicine, 22(11), 975–980. https://doi.org/10.1016/j.phymed.2015.07.003

 

Bioassay ID NPASS ID Target Activity type Activity