Showing entry for Bergapten


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001842
Compound NameBergapten
Structure
FormulaC12H8O4
InchiKeyBGEBZHIAGXMEMV-UHFFFAOYSA-N
SMILESCOC1=C2C=CC(=O)OC2=CC2=C1C=CO2
InchiInChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
IUPAC4-methoxy-7H-furo[3,2-g]chromen-7-one
Molecular Weight216.19
Pubchem Id2355
Chembl IdCHEMBL24171
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 50067880
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 BXGT013037 Potassium voltage-gated channel subfamily A member 1 reviewed Ion channel KCNA1 - - >200000 -
reviewed BXGT008222 Potassium voltage-gated channel subfamily A member 3 reviewed Kcna3 - - 101000 -
reviewed BXGT010643 Potassium voltage-gated channel subfamily C member 1 reviewed Ion channel KCNC1 - - 111000 -
reviewed BXGT008221 Potassium voltage-gated channel subfamily A member 2 reviewed Ion channel KCNA2 - - 41000 -
reviewed BXGT008326 Potassium voltage-gated channel subfamily A member 6 reviewed Ion channel KCNA6 - - 187000 -
reviewed BXGT008774 Potassium voltage-gated channel subfamily A member 5 reviewed Ion channel KCNA5 - - 177000 -
reviewed BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - >500000 - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 12000 - - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 2.5 - -
reviewed BXGT008716 Potassium voltage-gated channel subfamily A member 3 reviewed Ion channel KCNA3 - 101000 - -
CHEMBL CHEMBL24171
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
P48547 BXGT010643 Potassium voltage-gated channel subfamily C member 1 reviewed Ion channel KCNC1 Kd '=' 111000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 21 %
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '>' 500000 nM
O88397 BXGT005271 Solute carrier organic anion transporter family member 1A5 reviewed - Slco1a5 Activity '=' 32 %
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 3981 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 42163 nM
P03433 BXGT006070 Polymerase acidic protein reviewed - PA Inhibition '=' - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 5011 nM
P22460 BXGT008774 Potassium voltage-gated channel subfamily A member 5 reviewed Ion channel KCNA5 Kd '=' 177000 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 17782 nM
Q09470 BXGT013037 Potassium voltage-gated channel subfamily A member 1 reviewed Ion channel KCNA1 BK '=' 52 %
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '=' -6 %
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 3162 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 10000 nM
P16390 BXGT008222 Potassium voltage-gated channel subfamily A member 3 reviewed - Kcna3 Kd '=' 101000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 Ki '=' 12000 nM
Q09470 BXGT013037 Potassium voltage-gated channel subfamily A member 1 reviewed Ion channel KCNA1 Selectivity '=' 14 -
P17658 BXGT008326 Potassium voltage-gated channel subfamily A member 6 reviewed Ion channel KCNA6 Kd '=' 187000 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 1995 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
P16389 BXGT008221 Potassium voltage-gated channel subfamily A member 2 reviewed Ion channel KCNA2 Kd '=' 41000 nM
Q09470 BXGT013037 Potassium voltage-gated channel subfamily A member 1 reviewed Ion channel KCNA1 Kd '>' 200000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 EC200 '=' 0 uM
P22001 BXGT008716 Potassium voltage-gated channel subfamily A member 3 reviewed Ion channel KCNA3 IC50 '=' 101000 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 93 %
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 1489 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 31622 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 19952 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 13800 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 44668 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 10 %
P22460 BXGT008774 Potassium voltage-gated channel subfamily A member 5 reviewed Ion channel KCNA5 Ratio IC50 '=' 177 -
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 Partition ratio '=' 57 -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 97 %
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 2 ug.mL-1
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 98 %
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 Kinact '=' 0 min-1
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '=' 5 %
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 91 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 15300 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 IC50 '>' 10000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 90 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 80 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '>' 10000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '>' 10000 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Ki '=' 60 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Ki '=' 60 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition '=' 9 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 IC50 '>' 10000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Inhibition '=' 73 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 3 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '=' 4 %
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 68 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Inhibition '=' 20 %
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
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00043 Caraway Carum carvi Herbs and Spices
BXGF00053 Lime Citrus aurantiifolia Fruits
BXGF00054 Lemon Citrus limon Fruits
BXGF00055 Pummelo Citrus maxima Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00061 Coriander Coriandrum sativum Herbs and Spices
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00081 Fig Ficus carica 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
BXGF00171 Garden tomato Solanum lycopersicum Vegetables
BXGF00173 Garden tomato (var.) Solanum lycopersicum var. lycopersicum Vegetables
BXGF00211 Celery stalks Apium graveolens var. dulce Vegetables
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF00239 Grapefruit Citrus X paradisi Fruits
BXGF00811 Citrus Fruits
BXGF00824 Green vegetables Vegetables
BXGF00969 Pinus krempfii Pinus krempfii Others
BXGF01041 Zanthoxylum echinocarpum Zanthoxylum echinocarpum Medicinal Plant
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF01143 Coussarea paniculata Coussarea paniculata Others
BXGF01417 Trixis inula Trixis inula Others
BXGF01442 Torilis japonica Torilis japonica Medicinal Plant
BXGF01465 Heracleum maximum Heracleum maximum Medicinal Plant
BXGF01540 Rhodomyrtus tomentosa Rhodomyrtus tomentosa Medicinal Plant
BXGF01551 Sauropus quadrangularis Sauropus quadrangularis Medicinal Plant
BXGF01580 Changium smyrnioides Changium smyrnioides Medicinal Plant
BXGF01635 Nierembergia hippomanica Nierembergia hippomanica Medicinal Plant
BXGF02030 Angelica decursiva Angelica decursiva Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02065 Cnidium monnieri Cnidium monnieri Medicinal Plant
BXGF02070 Espeletiopsis purpurascens Espeletiopsis purpurascens Others
BXGF02106 Citrus medica Citrus medica Medicinal Plant
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
BXGF02480 Amomum reticulatum Amomum reticulatum Others
BXGF02526 Santalum album Santalum album Medicinal Plant
BXGF02631 Solanum torvum Solanum torvum 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
BXGF02967 Palicourea alpina Palicourea alpina Others
BXGF02969 Plectranthus hereroensis Plectranthus hereroensis Others
BXGF02982 Lupinus formosus Lupinus formosus Others
BXGF02995 Wunderlichia mirabilis Wunderlichia mirabilis Others
BXGF03010 Posoqueria latifolia Posoqueria latifolia Human Edible Plant
BXGF03026 Dicliptera riparia Dicliptera riparia Medicinal Plant
BXGF03036 Oxandra xylopioides Oxandra xylopioides Others
BXGF03091 Ilex kaushue Ilex kaushue Human Edible Plant
BXGF03107 Garcinia parvifolia Garcinia parvifolia Human Edible Plant
BXGF03116 Dalbergia frutescens Dalbergia frutescens Others
BXGF03121 Phytolacca acinosa Phytolacca acinosa Medicinal Plant
BXGF03128 Colchicum macedonicum Colchicum macedonicum Others
BXGF03137 Euphorbia caducifolia Euphorbia caducifolia Medicinal Plant
BXGF03145 Boronia muelleri Boronia muelleri Others
BXGF03169 Coprosma acerosa Coprosma acerosa Medicinal Plant
BXGF03183 Astilbe koreana Astilbe koreana Others
BXGF03211 Scrophularia smithii Scrophularia smithii Others
BXGF03302 Hypericum papuanum Hypericum papuanum Medicinal Plant
BXGF03329 Zilla spinosa Zilla spinosa Medicinal Plant
BXGF03380 Kaunia arbuscularis Kaunia arbuscularis Others
BXGF03397 Trifolium pratense Trifolium pratense Medicinal Plant
BXGF03420 Ophioglossum petiolatum Ophioglossum petiolatum Others
BXGF03425 Sambucus ebulus Sambucus ebulus Medicinal Plant
BXGF03435 Angelica pubescens Angelica pubescens Medicinal Plant
BXGF03441 Inula thapsoides Inula thapsoides Others
BXGF03453 Tylophora flava Tylophora flava Others
BXGF03474 Limeum pterocarpum Limeum pterocarpum Others
BXGF03489 Trifolium alexandrium Trifolium alexandrium Medicinal Plant
BXGF03498 Coptis deltoidea Coptis deltoidea Medicinal Plant
BXGF03517 Cassia carnaval Cassia carnaval Others
BXGF03537 Salix sieboldiana Salix sieboldiana Others
BXGF03601 Maclura cochinchinensis Maclura cochinchinensis Medicinal Plant
BXGF03639 Caralluma russeliana Caralluma russeliana Others
BXGF03657 Dalbergia monetaria Dalbergia monetaria Medicinal Plant
BXGF03671 Leonurus japonicus Leonurus japonicus Medicinal Plant
BXGF03676 Ursinia anthemoides Ursinia anthemoides Others
BXGF03682 Imperata cylindrica Imperata cylindrica Medicinal Plant
BXGF03716 Polypodium aureum Polypodium aureum Others
BXGF03733 Alpinia officinarum Alpinia officinarum Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03756 Casimiroa edulis Casimiroa edulis Medicinal Plant
BXGF03792 Helianthus californicus Helianthus californicus Others
BXGF03848 Hymenocallis speciosa Hymenocallis speciosa Others
BXGF03863 Oyedaea verbesinoides Oyedaea verbesinoides Others
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03868 Dillenia papuana Dillenia papuana Others
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF03890 Boenninghausenia albiflora Boenninghausenia albiflora Medicinal Plant
BXGF03925 Hydrocotyle leucocephala Hydrocotyle leucocephala Others
BXGF03937 Pyrola calliantha Pyrola calliantha Medicinal Plant
BXGF03997 Lonchocarpus salvadorensis Lonchocarpus salvadorensis Others
BXGF04021 Solanum berthaultii Solanum berthaultii Medicinal Plant
BXGF04379 Daiswa dunniana Daiswa dunniana Others
BXGF04570 Schenkia spicata Schenkia spicata Medicinal Plant
BXGF04741 Astragalus zahlbruckneri Astragalus zahlbruckneri Others
BXGF04842 Angelica acutiloba Angelica acutiloba Medicinal Plant
BXGF04855 Cranfillia vulcanica Cranfillia vulcanica 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
BXGF05165 Ruta graveolens Ruta graveolens Medicinal Plant
BXGF05260 Peucedanum praeruptorum Peucedanum praeruptorum Medicinal Plant
BXGF05336 Tanacetum santolinoides Tanacetum santolinoides Human Edible Plant
BXGF05338 Persicaria thunbergii Persicaria thunbergii Medicinal Plant
BXGF05426 Salvia oxyodon Salvia oxyodon Others
BXGF05540 Phegopteris subaurita Phegopteris subaurita Others
BXGF05665 Quercus sessilis Quercus sessilis Others
BXGF05687 Angelica officinalis Angelica officinalis Medicinal Plant
BXGF05738 Salvia xalapensis Salvia xalapensis Others
BXGF05760 Echium italicum Echium italicum Medicinal Plant
BXGF05805 Toddalia asiatica Toddalia asiatica Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF05823 Ligularia pleurocaulis Ligularia pleurocaulis Others
BXGF05827 Spiraea prunifolia Spiraea prunifolia Medicinal Plant
BXGF05850 Antidesma membranaceum Antidesma membranaceum Medicinal Plant
BXGF05898 Agathis macrophylla Agathis macrophylla Human Edible Plant
BXGF06027 Angelica taiwaniana Angelica taiwaniana Medicinal Plant
BXGF06053 Ficus elastica Ficus elastica Medicinal Plant
BXGF06075 Zanthoxylum schinifolium Zanthoxylum schinifolium Medicinal Plant
BXGF06101 Kniphofia tuckii Kniphofia tuckii Others
BXGF06107 Glehnia littoralis Glehnia littoralis Medicinal Plant
BXGF06128 Cnidium monieri Cnidium monieri Others
BXGF06148 Patrinia villosa Patrinia villosa Medicinal Plant
BXGF06197 Acanthus montanus Acanthus montanus Medicinal Plant
BXGF06208 Rosa transmorrisonensis Rosa transmorrisonensis 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