General Characteristics
2D structure
NatID 106
Common Name 6,8-Dimethylpinocembrin (demethoxymatteucinol)
Molecular Formula C17H16O4
Chemical Class Flavonoids > Flavans
Molecular Weight 284.105 g/mol
Other names

 

Representations
Smiles Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccccc1)O2
Inchi InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1
Inchi Key HAIHGFWQOPJMPV-ZDUSSCGKSA-N
3D Structure

 

Calculated Properties
clogP 3.42
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9039 Dalea elegans No Very High Peralta, M. A., Santi, M. D., Agnese, A. M., Cabrera, J. L., & Ortega, M. G. (2014). Flavanoids from Dalea elegans: Chemical reassignment and determination of kinetics parameters related to their anti-tyrosinase activity. Phytochemistry Letters, 10, 260–267. https://doi.org/10.1016/j.phytol.2014.10.012

 

Bioassay ID NPASS ID Target Activity type Activity