General Characteristics
2D structure
NatID 1665
Common Name NatID_1665
Molecular Formula C15H12O6
Chemical Class Flavonoids > Flavans
Molecular Weight 288.063 g/mol
Other names 20725-03-5

 

Representations
Smiles O=C1c2ccc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
Inchi InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1
Inchi Key FNUPUYFWZXZMIE-LSDHHAIUSA-N
3D Structure

 

Calculated Properties
clogP 1.48
TPSA 107.22
HBD 4
HBA 6
Rotatable Bonds 1
Aromatic Rings 2
Heavy Atoms 21
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10368 Prosopidastrum globosum No Low Agnese, A. M., Chiale, C. A., Cabrera, J. L., & Juliani, H. R. (1986). Two New Flavonoids from Prosopidastrum globosum. Journal of Natural Products, 49(3), 528–529. https://doi.org/10.1021/np50045a029

 

Bioassay ID NPASS ID Target Activity type Activity