General Characteristics
2D structure
NatID 552
Common Name 5,4'-dihydroxy-7-(γ,γ-dimethylallyloxy)dihydroflavonol
Molecular Formula C20H20O6
Chemical Class Flavonoids > Flavans
Molecular Weight 356.126 g/mol
Other names

 

Representations
Smiles CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O
Inchi InChI=1S/C20H20O6/c1-11(2)7-8-25-14-9-15(22)17-16(10-14)26-20(19(24)18(17)23)12-3-5-13(21)6-4-12/h3-7,9-10,19-22,24H,8H2,1-2H3/t19-,20+/m0/s1
Inchi Key CITFYDYEWQIEPX-VQTJNVASSA-N
3D Structure

 

Calculated Properties
clogP 3.12
TPSA 96.22
HBD 3
HBA 6
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 26
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9388 Pterocaulon alopecuroides No Very High Alarcón, R., Flores, R., Ocampos, S., Lucatti, A., Galleguillo, L., Tonn, C., & Sosa, V. (2008). Flavonoids fromPterocaulon alopecuroideswith Antibacterial Activity. Planta Medica, 74(12), 1463–1467. https://doi.org/10.1055/s-2008-1081331

 

Bioassay ID NPASS ID Target Activity type Activity