General Characteristics
2D structure
NatID 1486
Common Name NatID_1486
Molecular Formula C32H22O10
Chemical Class Flavonoids > Biflavonoids and polyflavonoids
Molecular Weight 566.121 g/mol
Other names 74336-91-7

 

Representations
Smiles COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(OC)cc6)oc45)c3o2)cc1
Inchi InChI=1S/C32H22O10/c1-39-17-7-3-15(4-8-17)25-13-23(37)27-19(33)11-21(35)29(31(27)41-25)30-22(36)12-20(34)28-24(38)14-26(42-32(28)30)16-5-9-18(40-2)10-6-16/h3-14,33-36H,1-2H3
Inchi Key XMFLYCKXVTYBRA-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 5.74
TPSA 159.80
HBD 4
HBA 10
Rotatable Bonds 5
Aromatic Rings 6
Heavy Atoms 42
Aromatic Carbocycles 4
Aromatic Heterocycles 2
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
10126 Phyllanthus sellowianus No Low Hnatyszyn, O., Ferraro, G., & Coussio, J. D. (1987). A Biflavonoid from Phyllanthus sellowianus. Journal of Natural Products, 50(6), 1156–1157. https://doi.org/10.1021/np50054a027

 

Bioassay ID NPASS ID Target Activity type Activity