Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 18th, 2011 |
46 |
No
|
Other Names:
VM 26; 4'-Demethylepipodophyllotoxin thenylidene glucoside; 4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylen
Vumon; Vee M-26
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)
|
1.82 |
3.79 |
-24.17 |
3 |
13 |
0 |
161 |
656.662 |
6 |
↓
|
Rings
-
1,3-dioxole
-
Thiophene
-
1,3-dioxane
-
Tetrahydrofuran-2-one
-
Tetrahydropyran
-
Benzene
-
Cyclohexene
-
4,4a,6,7,8,8a-hexahydropyrano[3,…
![4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine](//zinc12.docking.org/img/rings/4308.gif)
-
5a,8,8a,9-tetrahydro-5H-isobenzo…
![5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one](//zinc12.docking.org/img/rings/246007.gif)
-
5-phenyl-9-[[2-(2-thienyl)-4,4a,…
![5-phenyl-9-[[2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one](//zinc12.docking.org/img/rings/603286.gif)
No pre-computed analogs available. Try a structural similarity search.
![4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine](http://zinc12.docking.org/img/rings/4308.gif)
![5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one](http://zinc12.docking.org/img/rings/246007.gif)
![5-phenyl-9-[[2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5a,8,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-6-one](http://zinc12.docking.org/img/rings/603286.gif)