General Characteristics
2D structure
NatID 505
Common Name salvigenina
Molecular Formula C19H20O6
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 344.126 g/mol
Other names

 

Representations
Smiles C.COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1
Inchi InChI=1S/C18H16O6.CH4/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20;/h4-9,20H,1-3H3;1H4
Inchi Key WRVYTAGTAIKRHC-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.83
TPSA 78.13
HBD 1
HBA 6
Rotatable Bonds 4
Aromatic Rings 3
Heavy Atoms 25
Aromatic Carbocycles 2
Aromatic Heterocycles 1
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10011 Ophryosporus charua No Unknown Favier, L., Tonn, C., Guerreiro, E., Rotelli, A., & Pelzer, L. (1998). Anti-Inflammatory Activity of Acetophenones fromOphryosporus axilliflorus. Planta Medica, 64(07), 657–659. https://doi.org/10.1055/s-2006-957543

 

Bioassay ID NPASS ID Target Activity type Activity