General Characteristics
2D structure
NatID 1380
Common Name NatID_1380
Molecular Formula C17H14O8
Chemical Class Flavonoids > Flavans
Molecular Weight 346.069 g/mol
Other names

 

Representations
Smiles CC(=O)OC1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1
Inchi InChI=1S/C17H14O8/c1-7(18)24-17-15(23)14-12(22)5-9(19)6-13(14)25-16(17)8-2-3-10(20)11(21)4-8/h2-6,16-17,19-22H,1H3
Inchi Key NPWRSXJQDKRXOR-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 1.76
TPSA 133.52
HBD 4
HBA 8
Rotatable Bonds 2
Aromatic Rings 2
Heavy Atoms 25
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9851 Tessaria dodoneifolia No High

 

Bioassay ID NPASS ID Target Activity type Activity