Showing entry for 5,7-Dimethoxy-8-(3-Methylbut-2-Enoyl)Chromen-2-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0033758
Compound Name5,7-Dimethoxy-8-(3-Methylbut-2-Enoyl)Chromen-2-One
Structure
FormulaC16H16O5
InchiKeyJEDBBFHVVHKMKS-UHFFFAOYSA-N
SMILESCOc1cc(OC)c2c(c1C(=O)C=C(C)C)oc(=O)cc2
InchiInChI=1S/C16H16O5/c1-9(2)7-11(17)15-13(20-4)8-12(19-3)10-5-6-14(18)21-16(10)15/h5-8H,1-4H3
IUPAC5,7-dimethoxy-8-(3-methylbut-2-enoyl)chromen-2-one
Molecular Weight288.1
Pubchem Id616303
Chembl IdCHEMBL1399436
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 CHEMBL1399436
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 63095 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 14125 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 22387 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 11582 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 11220 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF03435 Angelica pubescens Angelica pubescens Medicinal Plant
BXGF03597 Angelica ursina Angelica ursina 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