General Characteristics
2D structure
NatID 561
Common Name 2’-hydroxy-4,4’-dimetoxychalcone
Molecular Formula C17H16O4
Chemical Class Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones
Molecular Weight 284.105 g/mol
Other names

 

Representations
Smiles COc1ccc(/C=C/C(=O)c2ccc(OC)cc2O)cc1
Inchi InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+
Inchi Key OAAPAFSEMHJNTF-BJMVGYQFSA-N
3D Structure

 

Calculated Properties
clogP 3.31
TPSA 55.76
HBD 1
HBA 4
Rotatable Bonds 5
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9858 Bidens aurea No Unknown Ortega, C., María, A., & Gianello, J. (2000). Chemical Components and Biological Activity of Bidens Subalternans, B. Aurea (Astereaceae) and Zuccagnia Puntacta (Fabaceae). Molecules, 5(12), 465–467. https://doi.org/10.3390/50300465

 

Bioassay ID NPASS ID Target Activity type Activity