Showing entry for Imperatorin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006326
Compound NameImperatorin
Structure
FormulaC16H14O4
InchiKeyOLOOJGVNMBJLLR-UHFFFAOYSA-N
SMILESCC(C)=CCOC1=C2OC(=O)C=CC2=CC2=C1OC=C2
InchiInChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
IUPAC9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Molecular Weight270.28
Pubchem Id10212
Chembl IdCHEMBL453805
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 50308719
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 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - 30500 - -
reviewed BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - 91800 - -
reviewed BXGT010849 Dual specificity protein phosphatase 3 reviewed DUSP3 - >100000 - -
reviewed BXGT009802 Tyrosine-protein phosphatase non-receptor type 7 reviewed Enzyme PTPN7 - >100000 - -
CHEMBL CHEMBL453805
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
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 79432 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 131 %
P34969 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 Inhibition '=' 57 %
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 26679 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 222 %
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 33587 nM
P0AEK4 BXGT007320 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI reviewed - fabI Activity - - -
P51452 BXGT010849 Dual specificity protein phosphatase 3 reviewed - DUSP3 IC50 '>' 100000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 5011 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 89125 nM
P03433 BXGT006070 Polymerase acidic protein reviewed - PA Inhibition '=' - -
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 28183 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 2238 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
O00167 BXGT003887 Eyes absent homolog 2 reviewed - EYA2 Potency - 100000 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 30500 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 17782 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 91800 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 756 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 15848 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 28 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition - - -
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 3981 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 100000 nM
A0A0C5K5S3 BXGT000138 Fluoroquinolone resistance protein unreviewed - mdeA MIC '=' 128 ug.mL-1
P35236 BXGT009802 Tyrosine-protein phosphatase non-receptor type 7 reviewed Enzyme PTPN7 IC50 '>' 100000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 101 %
A0A0C5K5S3 BXGT000138 Fluoroquinolone resistance protein unreviewed - mdeA FC '=' 2 -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 99 %
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 28000 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 1000 nM
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 2 -
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA MIC '=' 4 ug.mL-1
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 71 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00053 Lime Citrus aurantiifolia Fruits
BXGF00054 Lemon Citrus limon Fruits
BXGF00055 Pummelo Citrus maxima Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00094 Common walnut Juglans regia Nuts
BXGF00100 Lovage Levisticum officinale Herbs and Spices
BXGF00129 Parsnip Pastinaca sativa Vegetables
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00137 Anise Pimpinella anisum Herbs and Spices
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00361 Lambsquarters Chenopodium album Vegetables
BXGF00823 Fruits Fruits
BXGF00825 Root vegetables Vegetables
BXGF00969 Pinus krempfii Pinus krempfii Others
BXGF01041 Zanthoxylum echinocarpum Zanthoxylum echinocarpum Medicinal Plant
BXGF01260 Eleutherococcus senticosus Eleutherococcus senticosus Medicinal Plant
BXGF01417 Trixis inula Trixis inula Others
BXGF01442 Torilis japonica Torilis japonica Medicinal Plant
BXGF01462 Ambrosia arborescens Ambrosia arborescens Others
BXGF01470 Pleurospermum rivulorum Pleurospermum rivulorum Medicinal Plant
BXGF01551 Sauropus quadrangularis Sauropus quadrangularis Medicinal Plant
BXGF01580 Changium smyrnioides Changium smyrnioides Medicinal Plant
BXGF02030 Angelica decursiva Angelica decursiva Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02065 Cnidium monnieri Cnidium monnieri Medicinal Plant
BXGF02106 Citrus medica Citrus medica Medicinal Plant
BXGF02108 Heracleum mantegazzianum Heracleum mantegazzianum Medicinal Plant
BXGF02166 Niphogeton ternata Niphogeton ternata Others
BXGF02231 Macrococculus pomiferus Macrococculus pomiferus Others
BXGF02237 Citrus wilsonii Citrus wilsonii Medicinal Plant
BXGF02296 Zanthoxylum spinosum Zanthoxylum spinosum Others
BXGF02308 Peucedanum japonicum Peucedanum japonicum Medicinal Plant
BXGF02333 Saposhnikovia divaricata Saposhnikovia divaricata Medicinal Plant
BXGF02579 Peucedanum rubricaule Peucedanum rubricaule Medicinal Plant
BXGF02640 Spilanthes ocymifolia Spilanthes ocymifolia Others
BXGF02659 Vernonia echitifolia Vernonia echitifolia Others
BXGF02778 Eucalyptus exserta Eucalyptus exserta Others
BXGF02850 Inga paterno Inga paterno Human Edible Plant
BXGF02942 Arnica foliosa Arnica foliosa Others
BXGF03107 Garcinia parvifolia Garcinia parvifolia Human Edible Plant
BXGF03327 Citrus trifoliata Citrus trifoliata Human Edible Plant
BXGF03435 Angelica pubescens Angelica pubescens Medicinal Plant
BXGF03671 Leonurus japonicus Leonurus japonicus Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF04382 Murraya paniculata Murraya paniculata Medicinal Plant
BXGF04570 Schenkia spicata Schenkia spicata Medicinal Plant
BXGF04677 Cirsium canum Cirsium canum Others
BXGF04776 Thamnosma rhodesica Thamnosma rhodesica Others
BXGF04900 Ostericum grosseserratum Ostericum grosseserratum Human Edible Plant
BXGF04960 Angelica talwaniana Angelica talwaniana Others
BXGF04995 Aralia continentalis Aralia continentalis Medicinal Plant
BXGF05082 Orixa japonica Orixa japonica Medicinal Plant
BXGF05104 Angelica furcijuga Angelica furcijuga Medicinal Plant
BXGF05260 Peucedanum praeruptorum Peucedanum praeruptorum Medicinal Plant
BXGF05431 Citrus natsudaidai Citrus natsudaidai Human Edible Plant
BXGF05540 Phegopteris subaurita Phegopteris subaurita Others
BXGF05590 Peucedanum ostruthium Peucedanum ostruthium Medicinal Plant
BXGF05593 Ajania fastigiata Ajania fastigiata Others
BXGF05665 Quercus sessilis Quercus sessilis Others
BXGF05672 Podocarpus henckelii Podocarpus henckelii Others
BXGF05687 Angelica officinalis Angelica officinalis Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF05850 Antidesma membranaceum Antidesma membranaceum Medicinal Plant
BXGF05987 Opuntia vulgaris Opuntia vulgaris Medicinal Plant
BXGF06027 Angelica taiwaniana Angelica taiwaniana Medicinal Plant
BXGF06101 Kniphofia tuckii Kniphofia tuckii Others
BXGF06107 Glehnia littoralis Glehnia littoralis Medicinal Plant
BXGF06128 Cnidium monieri Cnidium monieri Others
BXGF06144 Piper hancei Piper hancei Medicinal Plant
BXGF06148 Patrinia villosa Patrinia villosa Medicinal Plant
BXGF06197 Acanthus montanus Acanthus montanus Medicinal Plant
BXGF06208 Rosa transmorrisonensis Rosa transmorrisonensis Others
BXGF06238 Gardenia jasminoides Gardenia jasminoides Medicinal Plant
BXGF06248 Annona haematantha Annona haematantha Others
BXGF06325 Salvia lasiantha Salvia lasiantha 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