Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 20th, 2013 |
52 |
No
|
Other Names:
2H-1-Benzopyran-2-one mixt. with 2-(3,4-bis(2- hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L- mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5- hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-one; 2H-1-Benzopyran-2-one, mixt. with 2-(3,4-bis(2-hydroxyethoxy)ph
3',4',7-Tri-O-(b-hydroxyethyl)rutoside;3',4',7-Tris(hydroxyethyl)rutin;3,5-Dihydroxy-3',4',7-tris(2-hydroxyethoxy)flavone 3-rutinoside;3-[6-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside]3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-Flavone;3-[6-O-(6-De
7085-55-4; D07180; Troxerutin (INN)
BRD-A74160776-001-02-8
DCF
INN
MFCD00893813
MI)
THR; Z-6000
Troxerutin (BAN
Z-6000
Download:
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)
|
-1.81 |
-13.15 |
-29.23 |
10 |
19 |
0 |
297 |
742.68 |
15 |
↓
|
|
Hi
High (pH 8-9.5)
|
-1.81 |
-12.16 |
-75.98 |
9 |
19 |
-1 |
300 |
741.672 |
15 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.
