Showing entry for alternariol monomethyl ether


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0035685
Compound Namealternariol monomethyl ether
Structure
FormulaC15H12O5
InchiKeyLCSDQFNUYFTXMT-UHFFFAOYSA-N
SMILESCOc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O
InchiInChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
IUPAC3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
Molecular Weight272.07
Pubchem Id5360741
Chembl IdCHEMBL483526
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 CHEMBL483526
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
O00444 BXGT003921 Serine/threonine-protein kinase PLK4 reviewed Kinase PLK4 IC50 '=' 2 ug.mL-1
Q96GD4 BXGT019667 Aurora kinase B reviewed Kinase AURKB IC50 '=' 1 ug.mL-1
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 IC50 '=' 7 ug.mL-1
P08069 BXGT006723 Insulin-like growth factor 1 receptor reviewed Kinase IGF1R IC50 '=' 1 ug.mL-1
O14965 BXGT004117 Aurora kinase A reviewed Kinase AURKA IC50 '=' 5 ug.mL-1
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 IC50 '=' 8 ug.mL-1
P41279 BXGT010254 Mitogen-activated protein kinase kinase kinase 8 reviewed Kinase MAP3K8 IC50 '=' 2 ug.mL-1
P06213 BXGT006425 Insulin receptor reviewed Kinase INSR IC50 '=' 7 ug.mL-1
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 3 ug.mL-1
P54760 BXGT011075 Ephrin type-B receptor 4 reviewed Kinase EPHB4 IC50 '=' 1 ug.mL-1
Q05397 BXGT012815 Focal adhesion kinase 1 reviewed Kinase PTK2 IC50 '=' 8 ug.mL-1
P35916 BXGT009881 Vascular endothelial growth factor receptor 3 reviewed Kinase FLT4 IC50 '=' 0 ug.mL-1
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR IC50 '=' 1 ug.mL-1
P09619 BXGT006911 Platelet-derived growth factor receptor beta reviewed Kinase PDGFRB IC50 '=' 1 ug.mL-1
P24385 BXGT008965 G1/S-specific cyclin-D1 reviewed Enzyme modulator CCND1 IC50 '=' 2 ug.mL-1
P11802 BXGT007750 Cyclin-dependent kinase 4 reviewed Kinase CDK4 IC50 '=' 2 ug.mL-1
Q02763 BXGT012667 Angiopoietin-1 receptor reviewed Kinase TEK IC50 '=' 3 ug.mL-1
O60285 BXGT004867 NUAK family SNF1-like kinase 1 reviewed Kinase NUAK1 IC50 '=' 4 ug.mL-1
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 IC50 '=' 4 ug.mL-1
P36888 BXGT009938 Receptor-type tyrosine-protein kinase FLT3 reviewed Kinase FLT3 IC50 '=' 1 ug.mL-1
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR IC50 '=' 1 ug.mL-1
P68400 BXGT011599 Casein kinase II subunit alpha reviewed Kinase CSNK2A1 IC50 '>' 10 ug.mL-1
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET IC50 '>' 10 ug.mL-1
P15056 BXGT008075 Serine/threonine-protein kinase B-raf reviewed Kinase BRAF IC50 '=' 4 ug.mL-1
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 1 ug.mL-1
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 1710 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF01323 Pinellia pedatisecta Pinellia pedatisecta Medicinal Plant
BXGF02542 Inula helenium Inula helenium Medicinal Plant
BXGF05000 Citrus reticulate Citrus reticulate Others
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