General Characteristics
2D structure
NatID 597
Common Name 2’,4’-dihydroxy-3-methoxy-chalcone
Molecular Formula C16H14O4
Chemical Class Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones
Molecular Weight 270.089 g/mol
Other names

 

Representations
Smiles COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1
Inchi InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
Inchi Key NYSZJNUIVUBQMM-BQYQJAHWSA-N
3D Structure

 

Calculated Properties
clogP 3.00
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 4
Aromatic Rings 2
Heavy Atoms 20
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9791 Zuccagnia punctata No High Pederiva, R., & Giordano, O. S. (1984). 37-Dihydroxy-8-methoxyflavone from Zuccagnia punctata. Phytochemistry, 23(6), 1340–1341. https://doi.org/10.1016/s0031-9422(00)80459-8

 

Bioassay ID NPASS ID Target Activity type Activity