Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 27th, 2004 |
19 |
Yes
|
Other Names:
2,5-Dimethoxy-4'-amino-trans-stilbene
2,5-Dimethoxy-4'-aminostilbene(trans); 4'-Stilbenamine, 2,5-dimethoxy-; 4-(2,5-Dimethoxy)stilbenamine; 4-(2,5-Dimethoxyphenethyl)aniline; 4-(2-(2,5-Dimethoxyphenyl)ethyl)benzenamine; BRN 2855929; Benzenamine, 4-(2-(2,5-dimethoxyphenyl)ethyl)-; LS-146770
4'-Amino-2,5-dimethoxy stilbene
MFCD00007915
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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)
|
3.43 |
0.21 |
-7.12 |
2 |
3 |
0 |
44 |
255.317 |
4 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
CP19A-1-E |
Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1820 |
0.42 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Endogenous sterols |
|
|
Estrogen biosynthesis |
|
No pre-computed analogs available. Try a structural similarity search.
