Showing entry for Sid17403365


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0044766
Compound NameSid17403365
Structure
FormulaC14H15NO4
InchiKeyYGGASQPEKIGCKJ-DUXPYHPUSA-N
SMILESO=C(N1CCOCC1)/C=C/c1ccc2c(c1)OCO2
InchiInChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
IUPAC(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one
Molecular Weight261.1
Pubchem Id682145
Chembl IdCHEMBL118703
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 50401985
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
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 6390 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - >100000 - -
CHEMBL CHEMBL118703
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
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 31622 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 31622 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 6390 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 16944 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29092 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency - 11220 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 35481 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '>' 100000 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 31622 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 70794 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
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