Showing entry for Naringin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005654
Compound NameNaringin
Structure
FormulaC27H32O14
InchiKeyDFPMSGMNTNDNHN-ZPHOTFPESA-N
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
IUPAC(2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Molecular Weight580.53
Pubchem Id442428
Chembl IdCHEMBL451532
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 50241582
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 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 8695 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 12181 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 6662 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 5771 - -
reviewed BXGT012931 Bcl-2-related protein A1 reviewed Bcl2a1 - >20000 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - >60000 - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 5000 - -
reviewed BXGT022215 Heparanase reviewed Enzyme HPSE - - >1000000 -
reviewed BXGT010641 G protein-activated inward rectifier potassium channel 4 reviewed Ion channel KCNJ5 - - - >100000
reviewed BXGT010644 G protein-activated inward rectifier potassium channel 1 reviewed Ion channel KCNJ3 - - - >100000
CHEMBL CHEMBL451532
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
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '>' 60000 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 79432 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1258 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 794 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 100000 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 44668 nM
P48544 BXGT010641 G protein-activated inward rectifier potassium channel 4 reviewed Ion channel KCNJ5 EC50 '>' 100000 nM
P48549 BXGT010644 G protein-activated inward rectifier potassium channel 1 reviewed Ion channel KCNJ3 EC50 '>' 100000 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 5000 nM
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Activity '=' 0 pm/min/mg
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Inhibition '=' 47 %
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '=' 5771 nM
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '=' 12181 nM
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 0 pm/min/mg
Q07440 BXGT012931 Bcl-2-related protein A1 reviewed - Bcl2a1 IC50 '>' 20000 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 56234 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 3548 nM
P00734 BXGT005630 Prothrombin reviewed Enzyme F2 Inhibition - - -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 707 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -5 %
P46721 BXGT010536 Solute carrier organic anion transporter family member 1A2 reviewed Transporter SLCO1A2 Activity - - -
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Activity '=' 61 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 34 %
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Activity '=' 70 %
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 0 pm/min/mg
Q9Y251 BXGT022215 Heparanase reviewed Enzyme HPSE Kd '>' 1000000 nM
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '=' 8695 nM
P61088 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed - UBE2N IC50 '=' 6662 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 137 %
O88397 BXGT005271 Solute carrier organic anion transporter family member 1A5 reviewed - Slco1a5 Activity '=' 36 %
Q9Y251 BXGT022215 Heparanase reviewed Enzyme HPSE Activity - - -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 37 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 100 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -3 %
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 891 nM
P48051 BXGT010611 G protein-activated inward rectifier potassium channel 2 reviewed Ion channel KCNJ6 EC50 '>' 100000 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 70 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 91800 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00054 Lemon Citrus limon Fruits
BXGF00055 Pummelo Citrus maxima Fruits
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00063 Saffron Crocus sativus Herbs and Spices
BXGF00086 Sunflower Helianthus annuus Herbs and Spices
BXGF00124 Common oregano Origanum vulgare Herbs and Spices
BXGF00142 Purslane Portulaca oleracea Herbs and Spices
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00238 Grapefruit/Pummelo hybrid Citrus paradisi X Citrus maxima Fruits
BXGF00239 Grapefruit Citrus X paradisi Fruits
BXGF00248 Beer Beverages
BXGF00360 Kumquat Fortunella Fruits
BXGF00570 Grape wine Beverages
BXGF00811 Citrus Fruits
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00823 Fruits Fruits
BXGF00871 Citrus unshiu Citrus unshiu Medicinal Plant
BXGF01667 Tripterygium wilfordii Tripterygium wilfordii Medicinal Plant
BXGF01918 Cytisus austriacus Cytisus austriacus Others
BXGF01966 Chromolaena odorata Chromolaena odorata Medicinal Plant
BXGF02103 Astragalus mongholicus Astragalus mongholicus Medicinal Plant
BXGF02106 Citrus medica Citrus medica Medicinal Plant
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02167 Scutellaria barbata Scutellaria barbata Medicinal Plant
BXGF02237 Citrus wilsonii Citrus wilsonii Medicinal Plant
BXGF02240 Clematis terniflora var. mandshurica Clematis terniflora var. mandshurica Medicinal Plant
BXGF02375 Helianthus maximiliani Helianthus maximiliani Medicinal Plant
BXGF02592 Ilex affinis Ilex affinis Human Edible Plant
BXGF02667 Anaxagorea clavata Anaxagorea clavata Others
BXGF02834 Citrus tankan Citrus tankan Medicinal Plant
BXGF02838 Helianthus niveus Helianthus niveus Medicinal Plant
BXGF03144 Stenostomum lucidum Stenostomum lucidum Others
BXGF03147 Beyeria brevifolia Beyeria brevifolia Others
BXGF03152 Sophora japonica Sophora japonica Medicinal Plant
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03189 Rhododendron dauricum Rhododendron dauricum Medicinal Plant
BXGF03286 Centaurea spinosa Centaurea spinosa Others
BXGF03327 Citrus trifoliata Citrus trifoliata Human Edible Plant
BXGF03421 Kaempferia pulchra Kaempferia pulchra Medicinal Plant
BXGF03534 Drosera peltata Drosera peltata Medicinal Plant
BXGF03614 Ageratum conyzoides Ageratum conyzoides Medicinal Plant
BXGF03712 Arnica nevadensis Arnica nevadensis Others
BXGF03745 Odixia angusta Odixia angusta Others
BXGF03760 Prunus laurocerasus Prunus laurocerasus Medicinal Plant
BXGF03766 Drynaria fortunei Drynaria fortunei Medicinal Plant
BXGF03812 Ficus formosana Ficus formosana Human Edible Plant
BXGF03843 Dipterocarpus alatus Dipterocarpus alatus Medicinal Plant
BXGF03864 Echinops amplexicaulis Echinops amplexicaulis Medicinal Plant
BXGF03873 Quercus aegilops Quercus aegilops Medicinal Plant
BXGF03883 Chloranthus tianmushanensis Chloranthus tianmushanensis Others
BXGF03897 Prosopis glandulosa Prosopis glandulosa Human Edible Plant
BXGF03901 Astragalus membranaceus Astragalus membranaceus Medicinal Plant
BXGF03916 Aria pallescens Aria pallescens Others
BXGF03926 Simira eliezeriana Simira eliezeriana Others
BXGF03939 Senecio squalidus Senecio squalidus Medicinal Plant
BXGF03951 Araujia sericifera Araujia sericifera Medicinal Plant
BXGF03966 Artemisia monogyna Artemisia monogyna Others
BXGF03986 Epaltes gariepina Epaltes gariepina Others
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF03991 Seriphidium cinum Seriphidium cinum Medicinal Plant
BXGF04002 Dendrosenecio kilimanjari Dendrosenecio kilimanjari Others
BXGF04009 Isodon kameba Isodon kameba Medicinal Plant
BXGF04016 Pterocarpus grandiflorus Pterocarpus grandiflorus Others
BXGF04030 Chromolaena pulchella Chromolaena pulchella Others
BXGF04041 Bursaria spinosa Bursaria spinosa Human Edible Plant
BXGF04054 Taxodium mucronatum Taxodium mucronatum Medicinal Plant
BXGF04066 Gardenia fosbergii Gardenia fosbergii Others
BXGF04073 Vitex madiensis Vitex madiensis Medicinal Plant
BXGF04144 Agnorhiza bolanderi Agnorhiza bolanderi Others
BXGF04452 Citrus japonica Citrus japonica Medicinal Plant
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04708 Sesbania punicea Sesbania punicea Others
BXGF04712 Prunus mume Prunus mume Medicinal Plant
BXGF04928 Citrus grandis Citrus grandis Medicinal Plant
BXGF05431 Citrus natsudaidai Citrus natsudaidai Human Edible Plant
BXGF05704 Securidaca inappendiculata Securidaca inappendiculata Medicinal Plant
BXGF05722 Hedysarum polybotrys Hedysarum polybotrys Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF05843 Pteris prolifera Pteris prolifera Others
BXGF05877 Rheum tanguticum Rheum tanguticum Medicinal Plant
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