Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 7th, 2004 |
24 |
Yes
|
Other Names:
3,5,3'-Trihydroxy-7,4'-dimethoxyflavone
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one; 4',7-dimethoxy-3,3',5-trihydroxyflavone; 7,4'-di-O-methylquercetin
4',7-Dimethoxy-3,3',5-trihydroxyflavone
4',7-Dimethoxy-3,3',5-trihydroxyflavone; 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-; 7,4'-Di-O-methylquercetin; BRN 0338215; Flavone, 4',7-dimethoxy-3,3',5-trihydroxy-; LS-68977; Ombuin
4',7-Dimethylquercetin
MFCD00017424
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MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
2.53 |
-2.24 |
-14.57 |
3 |
7 |
0 |
109 |
330.292 |
3 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
XDH-2-E |
Xanthine Dehydrogenase (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
7700 |
0.30 |
Binding ≤ 10μM
|
|
Z80418-2-O |
RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other |
Other |
2230 |
0.33 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Purine catabolism |
|
No pre-computed analogs available. Try a structural similarity search.
