General Characteristics
2D structure
NatID 1487
Common Name NatID_1487
Molecular Formula C36H34O10
Chemical Class Flavonoids > Biflavonoids and polyflavonoids
Molecular Weight 626.215 g/mol
Other names 66788-75-8

 

Representations
Smiles COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(-c4c(OC)cc(OC)c5c4O[C@H](c4ccc(OC)cc4)CC5=O)c3O2)cc1
Inchi InChI=1S/C36H34O10/c1-39-21-11-7-19(8-12-21)25-15-23(37)31-27(41-3)17-29(43-5)33(35(31)45-25)34-30(44-6)18-28(42-4)32-24(38)16-26(46-36(32)34)20-9-13-22(40-2)14-10-20/h7-14,17-18,25-26H,15-16H2,1-6H3/t25-,26-/m0/s1
Inchi Key CNMYMWHJPZVBCY-UIOOFZCWSA-N
3D Structure

 

Calculated Properties
clogP 6.82
TPSA 107.98
HBD 0
HBA 10
Rotatable Bonds 9
Aromatic Rings 4
Heavy Atoms 46
Aromatic Carbocycles 4
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
10127 Chromolaena hirsuta No Low Ferraro, G. E., Martino, V. S., & Coussio, J. D. (1988). 4’ ,4"-Dimethylcuppressuflavanone from Eupatorium subhastatum. Journal of Natural Products, 51(3), 586–587. https://doi.org/10.1021/np50057a025

 

Bioassay ID NPASS ID Target Activity type Activity