General Characteristics
2D structure
NatID 978
Common Name NatID_978
Molecular Formula C15H12O5
Chemical Class Flavonoids > Flavans
Molecular Weight 272.068 g/mol
Other names

 

Representations
Smiles O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21
Inchi InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
Inchi Key FTVWIRXFELQLPI-ZDUSSCGKSA-N
3D Structure

 

Calculated Properties
clogP 2.51
TPSA 86.99
HBD 3
HBA 5
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 20
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9074 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