Showing entry for 1,5-Bis(4-Hydroxy-3-Methoxyphenyl)-1,4-Pentadien-3-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029810
Compound Name1,5-Bis(4-Hydroxy-3-Methoxyphenyl)-1,4-Pentadien-3-One
Structure
FormulaC19H18O5
InchiKeyISIMGBQRFXXNON-FCXRPNKRSA-N
SMILESCOc1cc(/C=C/C(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
InchiInChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+
IUPAC(1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
Molecular Weight326.12
Pubchem Id6474893
Chembl IdCHEMBL128729
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 50067028
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 BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 - 599791 - -
reviewed BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 - - - 900
reviewed BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - 5200 - -
reviewed BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 - 6000 - -
reviewed BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - 800 - -
reviewed BXGT008039 Tyrosinase reviewed Enzyme TYR - >250000 - -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 70901 - -
reviewed BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 16077 - -
reviewed BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 292 - -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 257 - -
CHEMBL CHEMBL128729
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
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES IC50 - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '=' 599791 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 41500 nM
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 Activity - - -
P50233 BXGT010784 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed - Hsd11b2 Inhibition '=' 35 %
P45983 BXGT010494 Mitogen-activated protein kinase 8 reviewed Kinase MAPK8 Inhibition - - -
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA Inhibition - - -
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition '=' 39 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Activity - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Activity - - -
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 37153 nM
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR IC50 '>' 250000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Activity - - -
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Inhibition '=' 70 %
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 5200 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition - - -
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC50 '=' 1800 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC50 '=' 1800 nM
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 IC50 '=' 1800 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Ratio IC50 '=' 5 -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 41495404 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Activity - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Activity - - -
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 800 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 70901 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 257 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 37000 nM
P16232 BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 292 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Inhibition - - -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Inhibition - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Inhibition - - -
P13726 BXGT007950 Tissue factor reviewed Receptor F3 IC50 '>' 200 nM
P20831 BXGT008607 DNA gyrase subunit A reviewed - gyrA Inhibition - - -
P0A0K8 BXGT006971 DNA gyrase subunit B reviewed - gyrB Inhibition - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 EC50 '=' 900 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition - - -
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 IC50 '=' 6000 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '=' 600 nM
P16232 BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 16077 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 25 -
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Activity - - -
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 EC50 '=' 9900 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00068 Turmeric Curcuma longa 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