Showing entry for anisodamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049536
Compound Nameanisodamine
Structure
FormulaC17H23NO4
InchiKeyWTQYWNWRJNXDEG-RBZJEDDUSA-N
SMILESOC[C@H](c1ccccc1)C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H](C1)N2C)O
InchiInChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
IUPAC[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular Weight305.16
Pubchem Id6918612
Chembl IdCHEMBL2165224
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL2165224
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 8 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 9 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF01529 Rhamnus davurica Rhamnus davurica Medicinal Plant
BXGF02754 Hyoscyamus niger Hyoscyamus niger Medicinal Plant
BXGF03902 Datura metel Datura metel Medicinal Plant
BXGF04135 Atropa belladonna Atropa belladonna Medicinal Plant
BXGF05659 Datura stramonium Datura stramonium Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease