Showing entry for Daidzin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005921
Compound NameDaidzin
Structure
FormulaC21H20O9
InchiKeyKYQZWONCHDNPDP-QNDFHXLGSA-N
SMILESOC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InchiInChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
IUPAC3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Molecular Weight416.38
Pubchem Id107971
Chembl IdCHEMBL486422
Targets of Information Source
DrugBank DB02115
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
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 experimental -
PDB DZN
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
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed ALDH2 Enzyme - - - -
Binding DB 50409029
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 BXGT011315 Interleukin-2 reviewed IL2 - - 3380 -
reviewed BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 - 40 - -
reviewed BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 - 80 - -
CHEMBL CHEMBL486422
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
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 0 %
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 26854 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 10322 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 25118 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 6309 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB NI - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA NI - - -
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 43 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 43 %
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 Control '=' 268 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 - - -
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 IC50 '=' 40 nM
P60568 BXGT011315 Interleukin-2 reviewed - IL2 Kd '=' 3380 nM
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 Control '=' 146 %
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 Control '=' 203 %
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 Control '=' 299 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 64 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 64 %
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 16360 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 18 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 18 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 76 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 76 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 17 %
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 3162 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 5623 nM
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 IC50 '=' 80 nM
P80457 BXGT011911 Xanthine dehydrogenase/oxidase reviewed - XDH Inhibition '=' 0 %
P03070 BXGT006016 Large T antigen reviewed - IC50 '>' 100000 nM
P47895 BXGT010593 Aldehyde dehydrogenase family 1 member A3 reviewed Enzyme ALDH1A3 IC50 '>' 200000 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
O94788 BXGT005333 Retinal dehydrogenase 2 reviewed Enzyme ALDH1A2 IC50 '=' 4500 nM
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 IC50 '=' 3500 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 56234 nM
P30838 BXGT009471 Aldehyde dehydrogenase, dimeric NADP-preferring reviewed - ALDH3A1 IC50 - - -
P28037 BXGT009223 Cytosolic 10-formyltetrahydrofolate dehydrogenase reviewed - Aldh1l1 IC50 - - -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 IC50 '>' 200000 nM
P30837 BXGT009470 Aldehyde dehydrogenase X, mitochondrial reviewed Enzyme ALDH1B1 IC50 '=' 5100 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00085 Soy bean Glycine max Soy
BXGF00200 Mung bean Vigna radiata Pulses
BXGF00251 Other soy product Soy
BXGF00650 Miso Soy
BXGF00651 Tofu Soy
BXGF00691 Soy milk Soy
BXGF00722 Soy yogurt Soy
BXGF00819 Pulses Pulses
BXGF00825 Root vegetables Vegetables
BXGF00865 Hyoscyamus pusillus Hyoscyamus pusillus Medicinal Plant
BXGF00980 Parameria laevigata Parameria laevigata Medicinal Plant
BXGF01325 Murraya exotica Murraya exotica Medicinal Plant
BXGF01503 Astragalus bicuspis Astragalus bicuspis Others
BXGF01682 Bertya dimerostigma Bertya dimerostigma Others
BXGF01761 Styrax agrestis Styrax agrestis Others
BXGF01884 Justicia adhatoda Justicia adhatoda Medicinal Plant
BXGF03846 Platymiscium floribundum Platymiscium floribundum Others
BXGF04128 Delphinium barbeyi Delphinium barbeyi Medicinal Plant
BXGF04232 Caesalpinia crista Caesalpinia crista Medicinal Plant
BXGF04258 Rubia cordifolia Rubia cordifolia Medicinal Plant
BXGF04382 Murraya paniculata Murraya paniculata Medicinal Plant
BXGF04734 Cullen corylifolium Cullen corylifolium Medicinal Plant
BXGF04943 Pueraria lobata Pueraria lobata Medicinal Plant
BXGF05036 ducrosia ismaelis ducrosia ismaelis Others
BXGF05291 Teucrium marum Teucrium marum Medicinal Plant
BXGF05473 Astragalus wiedemannianus Astragalus wiedemannianus Others
BXGF05810 Pterocarpus indicus Pterocarpus indicus Medicinal Plant
BXGF06010 Hibiscus schizopetalus Hibiscus schizopetalus Medicinal Plant
BXGF06061 Flemingia macrophylla Flemingia macrophylla Medicinal Plant
BXGF06079 Pueraria montana var. lobata Pueraria montana var. lobata 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