Showing entry for Diosmetin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000516
Compound NameDiosmetin
Structure
FormulaC16H12O6
InchiKeyMBNGWHIJMBWFHU-UHFFFAOYSA-N
SMILESCOC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O
InchiInChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
IUPAC5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
Molecular Weight300.26
Pubchem Id5281612
Chembl IdCHEMBL90568
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 J8D
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
Q8NFU5 BXGT018564 Inositol polyphosphate multikinase reviewed IPMK Kinase - 7200 - -
Binding DB 23414
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 BXGT006255 Alpha-amylase 1 reviewed AMY1A - - - -
reviewed BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 - 23200 - -
reviewed BXGT011014 Mitogen-activated protein kinase 10 reviewed Kinase MAPK10 - 28600 - -
reviewed BXGT019667 Aurora kinase B reviewed Kinase AURKB - 3860 - -
reviewed BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 - 3000 - -
reviewed BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 - >50000 - -
reviewed BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 - 140 - -
reviewed BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 - 29 - -
reviewed BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 89 - - -
reviewed BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 16 - - -
CHEMBL CHEMBL90568
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
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 119 %
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA FC '=' 3 -
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 Inhibition - - -
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 140 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA Inhibition - - -
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Inhibition - - -
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 Inhibition - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG FC '=' 2 -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG FC '=' 7 -
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Km '=' 4100 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 2437 nM
P04745 BXGT006255 Alpha-amylase 1 reviewed - AMY1A Inhibition '=' 19 %
P33527 BXGT009728 Multidrug resistance-associated protein 1 reviewed Transporter ABCC1 IC50 '=' 3000 nM
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 IC50 '>' 50000 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Activity '=' 51 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 29 nM
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax '=' 651 nmol/min
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Ki '=' 89 nM
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA FC '=' 2 -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 122 %
P04745 BXGT006255 Alpha-amylase 1 reviewed - AMY1A IC50 - - -
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD FC '=' 7 -
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax '=' 74 nmol/min
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax '=' 73 nmol/min
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD FC '=' 4 -
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -6 %
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax/Km '=' 10 ml/min
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax/Km '=' 193 ml/min
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax/Km '=' 105 ml/min
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax/Km '=' 18 ml/min
Q15118 BXGT013540 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial reviewed Kinase PDK1 Inhibition '=' 5 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -8 %
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Km '=' 2380 nM
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Km '=' 3570 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 16 nM
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Km '=' 1310 nM
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax '=' 371 nmol/min
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax '=' 25 nmol/min
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Km '=' 3380 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 12589 nM
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 Activity - - -
P22734 BXGT008799 Catechol O-methyltransferase reviewed - Comt Vmax/Km '=' 57 ml/min
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00010 Lemon verbena Aloysia triphylla Herbs and Spices
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00054 Lemon Citrus limon Fruits
BXGF00089 Hyssop Hyssopus officinalis Herbs and Spices
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00122 Sweet marjoram Origanum majorana Herbs and Spices
BXGF00124 Common oregano Origanum vulgare Herbs and Spices
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00181 Dandelion Taraxacum officinale Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00811 Citrus Fruits
BXGF00855 Nerium oleander Nerium oleander Medicinal Plant
BXGF00870 Othonna sedifolia Othonna sedifolia Others
BXGF00934 Aristolochia maxima Aristolochia maxima Medicinal Plant
BXGF00945 Chrysanthemum sinense Chrysanthemum sinense Others
BXGF01145 Pterocarpus officinalis Pterocarpus officinalis Medicinal Plant
BXGF01177 Vernonia lanuginosa Vernonia lanuginosa Others
BXGF01182 Betula mandshurica Betula mandshurica Medicinal Plant
BXGF01188 Calycanthus floridus Calycanthus floridus Medicinal Plant
BXGF01215 Cirsium setosum Cirsium setosum Medicinal Plant
BXGF01247 Achillea collina Achillea collina Others
BXGF01301 Vepris nobilis Vepris nobilis Medicinal Plant
BXGF01319 Adenia globosa Adenia globosa Others
BXGF01403 Aglaia grandis Aglaia grandis Medicinal Plant
BXGF01415 Mikania obtusata Mikania obtusata Others
BXGF01433 Catunaregam tomentosa Catunaregam tomentosa Human Edible Plant
BXGF01442 Torilis japonica Torilis japonica Medicinal Plant
BXGF01461 Liriodendron tulipifera Liriodendron tulipifera Medicinal Plant
BXGF01522 Orobanche speciosa Orobanche speciosa Others
BXGF01536 Veronica pectinata Veronica pectinata Others
BXGF01557 Jasminum officinale Jasminum officinale Medicinal Plant
BXGF01592 Plantago lanceolata Plantago lanceolata Medicinal Plant
BXGF01715 Bergenia purpurascens Bergenia purpurascens Medicinal Plant
BXGF01716 Mentha canadensis Mentha canadensis Medicinal Plant
BXGF01754 Cryptotaenia japonica Cryptotaenia japonica Medicinal Plant
BXGF01763 Kadsura interior Kadsura interior Medicinal Plant
BXGF01815 Scabiosa comosa Scabiosa comosa Medicinal Plant
BXGF01878 Lobelia chinensis Lobelia chinensis Medicinal Plant
BXGF01946 Asparagus africanus Asparagus africanus Medicinal Plant
BXGF01961 Polygala myrtifolia Polygala myrtifolia Others
BXGF02065 Cnidium monnieri Cnidium monnieri Medicinal Plant
BXGF02073 Tripodanthus acutifolius Tripodanthus acutifolius Medicinal Plant
BXGF02090 Ligularia platyglossa Ligularia platyglossa Medicinal Plant
BXGF02100 Convallaria majalis Convallaria majalis Medicinal Plant
BXGF02128 Rhodiola krylovii Rhodiola krylovii Others
BXGF02177 Croton rhamnifolius Croton rhamnifolius Others
BXGF02188 Penstemon newberryi Penstemon newberryi Others
BXGF02224 Rapanea myricoides Rapanea myricoides Others
BXGF02237 Citrus wilsonii Citrus wilsonii Medicinal Plant
BXGF02247 Crataegus sinaica Crataegus sinaica Human Edible Plant
BXGF02275 Trichosanthes kirilowii maxim Trichosanthes kirilowii maxim Others
BXGF02298 Malus asiatica Malus asiatica Medicinal Plant
BXGF02396 Artemisia vachanica Artemisia vachanica Others
BXGF02411 Lasiocephalus ovatus Lasiocephalus ovatus Others
BXGF02427 Montrouziera sphaeroidea Montrouziera sphaeroidea Others
BXGF02443 Cotoneaster orbicularis Cotoneaster orbicularis Others
BXGF02450 Bischofia trifoliata Bischofia trifoliata Others
BXGF02513 Rabdosia angustifolia Rabdosia angustifolia Others
BXGF02517 Pimpinella saxifraga Pimpinella saxifraga Medicinal Plant
BXGF02531 Caragana tibetica Caragana tibetica Medicinal Plant
BXGF02538 Macrotyloma axillare Macrotyloma axillare Others
BXGF02555 Trigonostemon reidioides Trigonostemon reidioides Medicinal Plant
BXGF02581 Euphorbia ferganensis Euphorbia ferganensis Others
BXGF02594 Arachniodes dimorphophylla Arachniodes dimorphophylla Others
BXGF02608 Oreosolen wattii Oreosolen wattii Others
BXGF02742 Discaria crenata Discaria crenata Others
BXGF02756 Schizonepeta tenuisfolia Schizonepeta tenuisfolia Others
BXGF02811 Cyperus haspan Cyperus haspan Human Edible Plant
BXGF02931 Solanum chilense Solanum chilense Others
BXGF02946 Artemisia anomala Artemisia anomala Medicinal Plant
BXGF03014 Cirsium japonicum Cirsium japonicum Medicinal Plant
BXGF03025 Scutellaria seleriana Scutellaria seleriana Others
BXGF03052 Eclipta prostrata Eclipta prostrata Medicinal Plant
BXGF03078 Chrysanthemum x morifolium Chrysanthemum x morifolium Medicinal Plant
BXGF03288 Smilax bracteata Smilax bracteata Medicinal Plant
BXGF03319 Trichosanthes kirilowii Trichosanthes kirilowii Medicinal Plant
BXGF03432 Chrysanthemum indicum Chrysanthemum indicum Medicinal Plant
BXGF03472 Tropaeolum speciosum Tropaeolum speciosum Others
BXGF03643 Cytisus scoparius Cytisus scoparius Medicinal Plant
BXGF03664 Tynanthus panurensis Tynanthus panurensis Others
BXGF03680 Aconitum brevicalcaratum Aconitum brevicalcaratum Others
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03961 Scutellaria sieberi Scutellaria sieberi Others
BXGF03972 Crinum kirkii Crinum kirkii Medicinal Plant
BXGF04026 Christisonia bicolor Christisonia bicolor Others
BXGF04120 Solanum bahamense Solanum bahamense Others
BXGF04149 Atroxima liberica Atroxima liberica Others
BXGF04199 Isodon japonicus Isodon japonicus Medicinal Plant
BXGF04227 Linum crispum Linum crispum Others
BXGF04247 Tinospora smilacina Tinospora smilacina Medicinal Plant
BXGF04249 Palafoxia texana Palafoxia texana Others
BXGF04300 Tetrapanax papyrifer Tetrapanax papyrifer Medicinal Plant
BXGF04312 Sophora viciifolia Sophora viciifolia Medicinal Plant
BXGF04341 Sanguisorba officinalis Sanguisorba officinalis Medicinal Plant
BXGF04408 Sarcomelicope argyrophylla Sarcomelicope argyrophylla Others
BXGF04424 Hypericum triquetrifolium Hypericum triquetrifolium Medicinal Plant
BXGF04426 Daiswa polyphylla Daiswa polyphylla Medicinal Plant
BXGF04698 Isodon rubescens Isodon rubescens Others
BXGF04900 Ostericum grosseserratum Ostericum grosseserratum Human Edible Plant
BXGF05006 Ammodendron conollyi Ammodendron conollyi Others
BXGF05041 Desmodium styracifolium Desmodium styracifolium Medicinal Plant
BXGF05105 Cirsium dipsacolepis Cirsium dipsacolepis Medicinal Plant
BXGF05132 Mesembryanthemum anatomicum Mesembryanthemum anatomicum Medicinal Plant
BXGF05180 Malva sylvestris Malva sylvestris Medicinal Plant
BXGF05246 Viguiera annua Viguiera annua Others
BXGF05322 Trichosanthes rosthornii Trichosanthes rosthornii Medicinal Plant
BXGF05324 Goniothalamus thwaitesii Goniothalamus thwaitesii Others
BXGF05399 Zanthoxylum myriacanthum Zanthoxylum myriacanthum Medicinal Plant
BXGF05420 Lawsonia inermis Lawsonia inermis Medicinal Plant
BXGF05456 Anaphalis araneosa Anaphalis araneosa Others
BXGF05492 Bhesa nitidissima Bhesa nitidissima Others
BXGF05568 Eria subsessilis Eria subsessilis Others
BXGF05635 Cocculus diversifolius Cocculus diversifolius Others
BXGF05664 Myrica multiflora Myrica multiflora Medicinal Plant
BXGF05711 Bergenia crassifolia Bergenia crassifolia Medicinal Plant
BXGF05716 Trifolium apertum Trifolium apertum Others
BXGF05724 Rothmannia wittii Rothmannia wittii Medicinal Plant
BXGF05751 Vatica diospyroides Vatica diospyroides Others
BXGF05757 Solanum racemigerum Solanum racemigerum Others
BXGF05789 Teucrium pestalozzae Teucrium pestalozzae Others
BXGF05846 Ranzania japonica Ranzania japonica Others
BXGF05904 Impatiens edgeworthii Impatiens edgeworthii Others
BXGF05940 Artemisia kurramensis Artemisia kurramensis Others
BXGF05965 Episcia cupreata Episcia cupreata Others
BXGF06003 Pseudocinchona pachyceras Pseudocinchona pachyceras Others
BXGF06028 Knightia deplanchei Knightia deplanchei Others
BXGF06041 Pithecellobium clypearia Pithecellobium clypearia Medicinal Plant
BXGF06080 Licaria brasiliensis Licaria brasiliensis Others
BXGF06092 Schizonepeta tenuifolia Schizonepeta tenuifolia Medicinal Plant
BXGF06102 Crotalaria orixensis Crotalaria orixensis Human Edible Plant
BXGF06104 Ptilidium ciliare Ptilidium ciliare Others
BXGF06128 Cnidium monieri Cnidium monieri Others
BXGF06186 Jasonia candicans Jasonia candicans Others
BXGF06221 Annona rensoniana Annona rensoniana Others
BXGF06238 Gardenia jasminoides Gardenia jasminoides Medicinal Plant
BXGF06268 Zanthoxylum nitidum Zanthoxylum nitidum Medicinal Plant
BXGF06288 Salvinia imbricata Salvinia imbricata 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