General Characteristics
2D structure
NatID 1454
Common Name NatID_1454
Molecular Formula C16H14O5
Chemical Class Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones
Molecular Weight 286.084 g/mol
Other names 56121-43-8

 

Representations
Smiles COc1cc(O)cc(O)c1C(=O)C=Cc1ccc(O)cc1
Inchi InChI=1S/C16H14O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,17-18,20H,1H3
Inchi Key OWGUBYRKZATRIT-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.71
TPSA 86.99
HBD 3
HBA 5
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
10090 Achyrocline flaccida No Low Norbedo, C., Ferraro, G., & Coussio, J. D. (1982). A New Flavanone From Achyrocline flaccida. Journal of Natural Products, 45(5), 635–636. https://doi.org/10.1021/np50023a020

 

Bioassay ID NPASS ID Target Activity type Activity