General Characteristics
2D structure
NatID 76
Common Name 7,4-Dihydroxy-3 -methoxyflavanone
Molecular Formula C16H14O5
Chemical Class Flavonoids > O-methylated flavonoids
Molecular Weight 286.084 g/mol
Other names

 

Representations
Smiles COc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc1O
Inchi InChI=1S/C16H14O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
Inchi Key VSYNGSXKXHXJHX-AWEZNQCLSA-N
3D Structure

 

Calculated Properties
clogP 2.81
TPSA 75.99
HBD 2
HBA 5
Rotatable Bonds 2
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9933 Flourensia oolepis No High Joray, M. B., Trucco, L. D., González, M. L., Napal, G. N. D., Palacios, S. M., Bocco, J. L., & Carpinella, M. C. (2015). Antibacterial and Cytotoxic Activity of Compounds Isolated fromFlourensia oolepis. Evidence-Based Complementary and Alternative Medicine, 2015, 1–11. https://doi.org/10.1155/2015/912484

 

Bioassay ID NPASS ID Target Activity type Activity