NaturAr
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General Characteristics
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
Download
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
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity