Showing entry for 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050726
Compound Name5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
Structure
FormulaC21H20O11
InchiKeyJPUKWEQWGBDDQB-LQSBFMDOSA-N
SMILESOC[C@@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O
InchiInChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m0/s1
IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight448.1
Pubchem Id9911508
Chembl IdCHEMBL1572115
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 n.a
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
CHEMBL CHEMBL1572115
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
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 5361 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 21192 nM
P07237 BXGT006576 Protein disulfide-isomerase reviewed - P4HB AC50 - 15 nM
P07237 BXGT006576 Protein disulfide-isomerase reviewed - P4HB AC50 '=' 15 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 35481 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 28183 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 79432 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00155 Blackcurrant Ribes nigrum Fruits
BXGF00938 Dendrophthoe falcata Dendrophthoe falcata Medicinal Plant
BXGF01009 Dipsacus asper Dipsacus asper Others
BXGF01023 Salvia cyanescens Salvia cyanescens Others
BXGF01046 Coutarea latifolia Coutarea latifolia Others
BXGF01069 Ratibida mexicana Ratibida mexicana Medicinal Plant
BXGF01090 Rivina humilis Rivina humilis Medicinal Plant
BXGF01171 Duguetia calycina Duguetia calycina Human Edible Plant
BXGF01233 Citrus hassaku Citrus hassaku Others
BXGF01270 Peltogyne porphyrocardia Peltogyne porphyrocardia Others
BXGF01292 Dorstenia barteri Dorstenia barteri Medicinal Plant
BXGF01371 Eriostemon spicatus Eriostemon spicatus Others
BXGF01402 Phalaris canariensis Phalaris canariensis Medicinal Plant
BXGF01492 Jacaranda chelonia Jacaranda chelonia Others
BXGF01512 Payena lucida Payena lucida Medicinal Plant
BXGF01538 Pteridium aquilinum Pteridium aquilinum Medicinal Plant
BXGF01544 Crepidiastrum sonchifolium Crepidiastrum sonchifolium Others
BXGF01552 Garcinia xipshuanbannaensis Garcinia xipshuanbannaensis Human Edible Plant
BXGF01751 Caulerpa serrulata Caulerpa serrulata Human Edible Plant
BXGF01784 Leonurus persicus Leonurus persicus Medicinal Plant
BXGF01810 Delphinium shawurense Delphinium shawurense Others
BXGF01882 Lathyrus nissolia Lathyrus nissolia Medicinal Plant
BXGF01977 Gutierrezia lucida Gutierrezia lucida Others
BXGF01994 Helichrysum graveolens Helichrysum graveolens Others
BXGF02032 Krameria lappacea Krameria lappacea Food Plant
BXGF02042 Magnolia sieboldii Magnolia sieboldii Medicinal Plant
BXGF02044 Chrysothamnus parryi Chrysothamnus parryi Others
BXGF02330 Codonopsis pilosula Codonopsis pilosula Medicinal Plant
BXGF02544 Attalea excelsa Attalea excelsa Others
BXGF03853 Aconitum violaceum Aconitum violaceum Medicinal Plant
BXGF04037 Plumbagella micrantha Plumbagella micrantha Medicinal Plant
BXGF04392 Artemisia carvifolia Artemisia carvifolia Others
BXGF04460 Tanacetum parthenifolium Tanacetum parthenifolium Others
BXGF04904 Samadera indica Samadera indica Medicinal Plant
BXGF04992 Cephalaria uralensis Cephalaria uralensis Others
BXGF05215 Geranium sylvaticum Geranium sylvaticum Others
BXGF05288 Fagraea gracilipes Fagraea gracilipes Human Edible Plant
BXGF05441 Haplophyllum ferganicum Haplophyllum ferganicum Others
BXGF05478 Callicarpa maingayi Callicarpa maingayi Others
BXGF05487 Crotalaria aegyptiaca Crotalaria aegyptiaca Others
BXGF05518 Hymenothrix wislizenii Hymenothrix wislizenii Others
BXGF05578 Aglaia laxiflora Aglaia laxiflora Human Edible Plant
BXGF05629 Iryanthera paraensis Iryanthera paraensis Human Edible Plant
BXGF05766 Dicoma capensis Dicoma capensis Medicinal Plant
BXGF05793 Greenwayodendron oliveri Greenwayodendron oliveri Others
BXGF05866 Garcinia pyrifera Garcinia pyrifera Others
BXGF05872 Digitalis isabelliana Digitalis isabelliana Others
BXGF05873 Scopolia hladnikiana Scopolia hladnikiana Others
BXGF06006 Centaurea corcubionensis Centaurea corcubionensis Others
BXGF06012 Ophryosporus floribundus Ophryosporus floribundus Others
BXGF06074 Artemisia lactiflora Artemisia lactiflora Medicinal Plant
BXGF06087 Sonchus ortunoi Sonchus ortunoi Others
BXGF06111 Pteris radiata Pteris radiata Others
BXGF06174 Styrax ferrugineus Styrax ferrugineus Medicinal Plant
BXGF06277 Vincetoxicum hirundinaria Vincetoxicum hirundinaria Medicinal Plant
BXGF06295 Catalpa ovata Catalpa ovata Medicinal Plant
BXGF06302 Pinus brutia var. eldarica Pinus brutia var. eldarica Medicinal Plant
BXGF06323 Euphorbia turczaninowii Euphorbia turczaninowii 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