General Characteristics
2D structure
NatID 697
Common Name 7-hydroxyflavanone
Molecular Formula C15H12O3
Chemical Class Flavonoids > Flavans
Molecular Weight 240.079 g/mol
Other names

 

Representations
Smiles O=C1CC(c2ccccc2)Oc2cc(O)ccc21
Inchi InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
Inchi Key SWAJPHCXKPCPQZ-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.10
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 18
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9859 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