Showing entry for Isobavachalcone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049929
Compound NameIsobavachalcone
Structure
FormulaC20H20O4
InchiKeyDUWPGRAKHMEPCM-IZZDOVSWSA-N
SMILESCC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)C
InchiInChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
IUPAC(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight324.14
Pubchem Id5281255
Chembl IdCHEMBL253467
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 50441633
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 BXGT007435 Replicase polyprotein 1a reviewed 1a 4900 7300 - -
reviewed BXGT007435 Replicase polyprotein 1a reviewed 1a 9100 - - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 27300 - -
CHEMBL CHEMBL253467
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
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 1 -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition - - -
P10721 BXGT007605 Mast/stem cell growth factor receptor Kit reviewed Kinase KIT Inhibition - - -
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Inhibition - - -
P21802 BXGT008691 Fibroblast growth factor receptor 2 reviewed Kinase FGFR2 Inhibition - - -
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR Inhibition '=' 58 %
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC Inhibition '=' 50 %
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET Inhibition - - -
P17706 BXGT008330 Tyrosine-protein phosphatase non-receptor type 2 reviewed - PTPN2 Inhibition '=' 4 %
Q60795 BXGT016000 Nuclear factor erythroid 2-related factor 2 reviewed - Nfe2l2 FC '=' 1 -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 27300 nM
P11362 BXGT007693 Fibroblast growth factor receptor 1 reviewed Kinase FGFR1 Inhibition - - -
P51452 BXGT010849 Dual specificity protein phosphatase 3 reviewed - DUSP3 Inhibition '>' 70 %
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 16 %
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '>' 40 ug.mL-1
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 73 %
Q96EB6 BXGT019646 NAD-dependent protein deacetylase sirtuin-1 reviewed Epigenetic regulator SIRT1 Activity - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 1 -
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR Inhibition '=' 18 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00001 Angelica Angelica keiskei Herbs and Spices
BXGF00857 Mitracarpus scaber Mitracarpus scaber Others
BXGF00869 Teucrium betonicum Teucrium betonicum Others
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02214 Morus bombycis Morus bombycis Medicinal Plant
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04734 Cullen corylifolium Cullen corylifolium Medicinal Plant
BXGF05036 ducrosia ismaelis ducrosia ismaelis Others
BXGF05056 Artocarpus communis Artocarpus communis Others
BXGF05476 Broussonetia papyrifera Broussonetia papyrifera Medicinal Plant
BXGF05790 Glycyrrhiza uralensis Glycyrrhiza uralensis 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