General Characteristics
2D structure
NatID 551
Common Name 5,4'-dihydroxy-7-(γ,γ-dimethylallyloxy)flavanone
Molecular Formula C20H20O5
Chemical Class Flavonoids > Flavans
Molecular Weight 340.131 g/mol
Other names

 

Representations
Smiles CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
Inchi InChI=1S/C20H20O5/c1-12(2)7-8-24-15-9-16(22)20-17(23)11-18(25-19(20)10-15)13-3-5-14(21)6-4-13/h3-7,9-10,18,21-22H,8,11H2,1-2H3/t18-/m0/s1
Inchi Key HXGGEGJYNMWHAD-SFHVURJKSA-N
3D Structure

 

Calculated Properties
clogP 4.15
TPSA 75.99
HBD 2
HBA 5
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 25
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9389 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