Showing entry for Pentamethylquercetin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0041676
Compound NamePentamethylquercetin
Structure
FormulaC20H20O7
InchiKeyALGDHWVALRSLBT-UHFFFAOYSA-N
SMILESCOc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC
InchiInChI=1S/C20H20O7/c1-22-12-9-15(25-4)17-16(10-12)27-19(20(26-5)18(17)21)11-6-7-13(23-2)14(8-11)24-3/h6-10H,1-5H3
IUPAC2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Molecular Weight372.12
Pubchem Id97332
Chembl IdCHEMBL19032
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 50404748
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 BXGT012563 cGMP-dependent 3',5'-cyclic phosphodiesterase reviewed Pde2a - 96000 - -
reviewed BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 - 1880 - -
reviewed BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 - 822 - -
reviewed BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 - 26350 - -
CHEMBL CHEMBL19032
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
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 79432 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 FC '=' 0 -
Q28731 BXGT013954 Thrombin unreviewed - thrombin PT '=' 5 s
Q28731 BXGT013954 Thrombin unreviewed - thrombin Activity '=' 8 g/L
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 IC50 '=' 1880 nM
Q28731 BXGT013954 Thrombin unreviewed - thrombin TT '=' 11 s
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 FC '=' 8 -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 1000 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 50118 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
Q01066 BXGT012565 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B reviewed - Pde1b IC50 '>' 1000000 nM
Q9EPR9 BXGT020293 Phosphodiesterase unreviewed - Pde1a IC50 '>' 1000000 nM
Q63421 BXGT016070 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C reviewed - Pde1c IC50 '>' 1000000 nM
Q01062 BXGT012563 cGMP-dependent 3',5'-cyclic phosphodiesterase reviewed - Pde2a IC50 '=' 96000 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 12589 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 44668 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 23400 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 1258 nM
Q12791 BXGT013264 Calcium-activated potassium channel subunit alpha-1 reviewed Ion channel KCNMA1 Control '=' 94 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 7304 nM
Q28731 BXGT013954 Thrombin unreviewed - thrombin APTT '=' 40 s
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 56234 nM
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 FC '=' 7 -
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 25118 nM
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 Inhibition '>' 25 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 19952 nM
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 IC50 '=' 822 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition '>' 25 %
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 IC50 '=' 26350 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 25118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01250 Colchicum filifolium Colchicum filifolium Others
BXGF01256 Cynoglossum macrostylum Cynoglossum macrostylum Others
BXGF01686 Pulsatilla chinensis Pulsatilla chinensis Medicinal Plant
BXGF02206 Mucuna holtonii Mucuna holtonii Others
BXGF02233 Quercus marilandica Quercus marilandica Medicinal Plant
BXGF02446 Centaurea scoparia Centaurea scoparia Others
BXGF03054 Mimosa pigra Mimosa pigra Medicinal Plant
BXGF03103 Cheilanthes fragrans Cheilanthes fragrans Medicinal Plant
BXGF03239 Fadogia agrestis Fadogia agrestis Medicinal Plant
BXGF03289 Ostrya carpinifolia Ostrya carpinifolia Medicinal Plant
BXGF03305 Aconitum variegatum Aconitum variegatum Medicinal Plant
BXGF03477 Stephania dielsiana Stephania dielsiana Medicinal Plant
BXGF03514 Pteris bella Pteris bella Medicinal Plant
BXGF03601 Maclura cochinchinensis Maclura cochinchinensis Medicinal Plant
BXGF03626 Trichilia heudelotii Trichilia heudelotii Others
BXGF03644 Andromeda polifolia Andromeda polifolia Medicinal Plant
BXGF03753 Scapania bolanderi Scapania bolanderi Others
BXGF03776 Argyrochosma pilifera Argyrochosma pilifera Others
BXGF03836 Gymnopetalum integrifolium Gymnopetalum integrifolium Medicinal Plant
BXGF03852 Genista lydia Genista lydia Others
BXGF03959 Vincetoxicum forrestii Vincetoxicum forrestii Others
BXGF04035 Campanula choziatowskyi Campanula choziatowskyi Others
BXGF04208 Salvia patens Salvia patens Others
BXGF04214 Dialium excelsum Dialium excelsum Others
BXGF04380 Euphorbia hylonoma Euphorbia hylonoma Others
BXGF04409 Senecio platyphylloides Senecio platyphylloides Others
BXGF04418 Drymaria cordata Drymaria cordata Medicinal Plant
BXGF04442 Boesenbergia pandurata Boesenbergia pandurata Medicinal Plant
BXGF04447 Helleborus macranthus Helleborus macranthus Others
BXGF04448 Salix rosmarinifolia Salix rosmarinifolia Others
BXGF04455 Heliotropium scabrum Heliotropium scabrum Others
BXGF04457 Podocarpus dacrydioides Podocarpus dacrydioides Medicinal Plant
BXGF04469 Centaurea sonchifolia Centaurea sonchifolia Others
BXGF04472 Matricaria sabulosa Matricaria sabulosa Others
BXGF04489 Pterocaulon serrulatum Pterocaulon serrulatum Medicinal Plant
BXGF04504 Boswellia ovalifoliolata Boswellia ovalifoliolata Medicinal Plant
BXGF04515 Hardenbergia violacea Hardenbergia violacea Medicinal Plant
BXGF04529 Lonchocarpus chiricanus Lonchocarpus chiricanus Others
BXGF04533 Astragalus circassicus Astragalus circassicus Others
BXGF04543 Erythrina hypaphorus Erythrina hypaphorus Others
BXGF04548 Beilschmiedia madang Beilschmiedia madang Medicinal Plant
BXGF04555 Salvia lavanduloides Salvia lavanduloides Others
BXGF04573 Rubia akane Rubia akane Medicinal Plant
BXGF04586 Aniba santalodora Aniba santalodora Others
BXGF04618 Mentzelia decapetala Mentzelia decapetala Human Edible Plant
BXGF04648 Amorphophallus konjac Amorphophallus konjac Human Edible Plant
BXGF05137 Acalypha australis Acalypha australis Medicinal Plant
BXGF05231 Salvia virgata Salvia virgata Human Edible Plant
BXGF05566 Petunia axillaris subsp. parodii Petunia axillaris subsp. parodii Medicinal Plant
BXGF06122 Bethencourtia palmensis Bethencourtia palmensis Others
BXGF06203 Lepechinia urbanii Lepechinia urbanii 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