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


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050724
Compound Name2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
Structure
FormulaC21H20O11
InchiKeyPEFNSGRTCBGNAN-RQXATKFSSA-N
SMILESOC[C@H]1O[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m1/s1
IUPAC2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight448.1
Pubchem Id13093776
Chembl IdCHEMBL1159535
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 CHEMBL1159535
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
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 19952 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 28183 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR ID50 - - -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 44562 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 891 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 2818 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00851 Myrsine capitellata Myrsine capitellata Medicinal Plant
BXGF01122 Sideritis trojana Sideritis trojana Others
BXGF01168 Erysimum leptophyllum Erysimum leptophyllum Others
BXGF01200 Markhamia stipulata Markhamia stipulata Medicinal Plant
BXGF01295 Chondrodendron tomentosum Chondrodendron tomentosum Medicinal Plant
BXGF01342 Hypericum reflexum Hypericum reflexum Others
BXGF01354 Haplophyllum obtusifolium Haplophyllum obtusifolium Others
BXGF01364 Vinca minor Vinca minor Human Edible Plant
BXGF01429 Osteospermum fruticosum Osteospermum fruticosum Others
BXGF01621 Syzygium polycephaloides Syzygium polycephaloides Human Edible Plant
BXGF02048 Sideritis soluta Sideritis soluta Others
BXGF02202 Piper regnellii Piper regnellii Medicinal Plant
BXGF02287 Gymnocalycium schickendantzii Gymnocalycium schickendantzii Others
BXGF02445 Onopordum acanthium Onopordum acanthium Medicinal Plant
BXGF02500 Pancratium sickenbergeri Pancratium sickenbergeri Others
BXGF02573 Centaurea maculosa Centaurea maculosa Others
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF02695 Plathymenia reticulata Plathymenia reticulata Others
BXGF02729 Asimina parviflora Asimina parviflora Medicinal Plant
BXGF02774 Pteridium esculentum Pteridium esculentum Medicinal Plant
BXGF02813 Esenbeckia leiocarpa Esenbeckia leiocarpa Others
BXGF02852 Sophora flavescens Sophora flavescens Medicinal Plant
BXGF02929 Hypericum styphelioides Hypericum styphelioides Others
BXGF02973 Vellozia nanuzae Vellozia nanuzae Others
BXGF02992 Baccharis neglecta Baccharis neglecta Others
BXGF03012 Atraphaxis spinosa Atraphaxis spinosa Medicinal Plant
BXGF03027 Embelia schimperi Embelia schimperi Medicinal Plant
BXGF03087 Epilobium hirsutum Epilobium hirsutum Medicinal Plant
BXGF03106 Lythrum salicaria Lythrum salicaria Medicinal Plant
BXGF03113 Simarouba glauca Simarouba glauca Medicinal Plant
BXGF03126 Erythrina melanacantha Erythrina melanacantha Medicinal Plant
BXGF03151 Monsonia senegalensis Monsonia senegalensis Human Edible Plant
BXGF03157 Clerodendrum bungei Clerodendrum bungei Medicinal Plant
BXGF03186 Lemaireocereus longispinus Lemaireocereus longispinus Others
BXGF03190 Phytolacca thyrsiflora Phytolacca thyrsiflora Others
BXGF03197 Eria anomala Eria anomala Others
BXGF03208 Embelia parviflora Embelia parviflora Medicinal Plant
BXGF03250 Euphorbia nematocypha Euphorbia nematocypha Medicinal Plant
BXGF03279 Abelia chinensis Abelia chinensis Unclassified
BXGF03285 Corydalis thalictrifolia Corydalis thalictrifolia Medicinal Plant
BXGF03297 Diospyros assimilis Diospyros assimilis Medicinal Plant
BXGF03310 Faramea salicifolia Faramea salicifolia Others
BXGF03424 Calliandra eriophylla Calliandra eriophylla Others
BXGF03564 Vernonia fagifolia Vernonia fagifolia Others
BXGF03570 Cordia leucocephala Cordia leucocephala Others
BXGF04584 Helichrysum tenuifolium Helichrysum tenuifolium Others
BXGF05010 Morella rubra Morella rubra 0
BXGF05643 Viguiera stenoloba Viguiera stenoloba Others
BXGF05788 Mollugo spergula Mollugo spergula Medicinal Plant
BXGF06168 Nicotiana affinis Nicotiana affinis Others
BXGF06222 Senecio sandersonii Senecio sandersonii 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