General Characteristics
2D structure
NatID 103
Common Name (2S)-8-Prenylpinocembrin
Molecular Formula C20H20O4
Chemical Class Flavonoids > Flavans
Molecular Weight 324.136 g/mol
Other names

 

Representations
Smiles CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2
Inchi InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h3-8,10,17,21,23H,9,11H2,1-2H3/t17-/m0/s1
Inchi Key UOWOIGNEFLTNAW-KRWDZBQOSA-N
3D Structure

 

Calculated Properties
clogP 4.31
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 3
Aromatic Rings 2
Heavy Atoms 24
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9072 Dalea elegans No Very High Peralta, M., Calise, M., Fornari, M., Ortega, M., Diez, R., Cabrera, J., & Pérez, C. (2012). A Prenylated Flavanone from Dalea elegans Inhibits Rhodamine 6 G Efflux and Reverses Fluconazole-Resistance in Candida albicans. Planta Medica, 78(10), 981–987. https://doi.org/10.1055/s-0031-1298627

 

Bioassay ID NPASS ID Target Activity type Activity