General Characteristics
2D structure
NatID 475
Common Name Pinocembrin
Molecular Formula C15H12O4
Chemical Class Flavonoids > Flavans
Molecular Weight 256.074 g/mol
Other names

 

Representations
Smiles O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21
Inchi InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
Inchi Key URFCJEUYXNAHFI-ZDUSSCGKSA-N
3D Structure

 

Calculated Properties
clogP 2.80
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 19
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9071 Dalea elegans No Very High Peralta, M., Calise, M., Fornari, M., Ortega, M., Diez, R., Cabrera, J., & Pérez, C. (2012). A Prenylated Flavanone from Dalea elegans Inhibits Rhodamine 6 G Efflux and Reverses Fluconazole-Resistance in Candida albicans. Planta Medica, 78(10), 981–987. https://doi.org/10.1055/s-0031-1298627

 

Bioassay ID NPASS ID Target Activity type Activity