General Characteristics
2D structure
NatID 596
Common Name 2’,4’-dihydroxychalcone
Molecular Formula C15H12O3
Chemical Class Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones
Molecular Weight 240.079 g/mol
Other names 2,4-dihydroxychalcone

 

Representations
Smiles O=C(/C=C/c1ccc(O)cc1O)c1ccccc1
Inchi InChI=1S/C15H12O3/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-10,16,18H/b9-7+
Inchi Key LKNPFZQVNZFLIC-VQHVLOKHSA-N
3D Structure

 

Calculated Properties
clogP 2.99
TPSA 57.53
HBD 2
HBA 3
Rotatable Bonds 3
Aromatic Rings 2
Heavy Atoms 18
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9857 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
9974 Glycyrrhiza astragalina No Unknown

 

Bioassay ID NPASS ID Target Activity type Activity