Showing entry for 1,2,6-Tri-O-Galloyl-Beta-D-Glucose


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0044244
Compound Name1,2,6-Tri-O-Galloyl-Beta-D-Glucose
Structure
FormulaC27H24O18
InchiKeyLLENXGNWVNSBQG-VFTFQOQOSA-N
SMILESO[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InchiInChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1
IUPAC[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Weight636.1
Pubchem Id440308
Chembl IdCHEMBL447974
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 50250504
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 BXGT010917 Squalene monooxygenase reviewed Sqle - 630 - -
CHEMBL CHEMBL447974
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
Q72547 BXGT016709 Reverse transcriptase/RNaseH unreviewed - pol Inhibition '=' 16 %
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ Phorbol displacement - - -
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 Phorbol displacement - - -
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH Phorbol displacement - - -
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE Phorbol displacement - - -
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB Phorbol displacement - - -
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD Phorbol displacement - - -
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG Phorbol displacement - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Phorbol displacement - - -
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 Phorbol displacement - - -
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ IC50 '>' 100000 nM
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 IC50 '>' 100000 nM
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH IC50 '>' 100000 nM
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE IC50 '>' 100000 nM
Q05513 BXGT012820 Protein kinase C zeta type reviewed Kinase PRKCZ IC50 '>' 100000 nM
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB IC50 '>' 100000 nM
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD IC50 '>' 100000 nM
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG IC50 '>' 100000 nM
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 '>' 100000 nM
P41743 BXGT010270 Protein kinase C iota type reviewed Kinase PRKCI IC50 '>' 100000 nM
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 IC50 '>' 100000 nM
P52020 BXGT010917 Squalene monooxygenase reviewed - Sqle IC50 '=' 630 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 28 ug.mL-1
A3EZI9 BXGT001153 Genome polyprotein unreviewed - NS3 IC50 '=' 1890 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00094 Common walnut Juglans regia Nuts
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00459 Wax gourd Benincasa hispida Gourds
BXGF00857 Mitracarpus scaber Mitracarpus scaber Others
BXGF00892 Leptocereus quadricostatus Leptocereus quadricostatus Others
BXGF00919 Chaiturus marrubiastrum Chaiturus marrubiastrum Others
BXGF01187 Onobrychis arenaria Onobrychis arenaria Others
BXGF01304 Conyza canadensis Conyza canadensis Medicinal Plant
BXGF01311 Aizopsis selskiana Aizopsis selskiana Others
BXGF01362 Coreopsis fasciculata Coreopsis fasciculata Others
BXGF01570 Pinalia stricta Pinalia stricta Others
BXGF01601 Selinum carvifolium Selinum carvifolium Others
BXGF01623 Amphorogyne spicata Amphorogyne spicata Others
BXGF01695 Tanacetum coccineum Tanacetum coccineum Medicinal Plant
BXGF01711 Hypericum mysorense Hypericum mysorense Medicinal Plant
BXGF01799 Mandragora autumnalis Mandragora autumnalis Medicinal Plant
BXGF01931 Dalbergia lanceolaria subsp. paniculata Dalbergia lanceolaria subsp. paniculata Medicinal Plant
BXGF02037 Carduus tenuiflorus Carduus tenuiflorus Others
BXGF02203 Verbascum thapsiforme Verbascum thapsiforme Medicinal Plant
BXGF02254 Thuja plicata Thuja plicata Medicinal Plant
BXGF02289 Rhododendron dahuricum Rhododendron dahuricum Others
BXGF02387 Salvia greggii Salvia greggii Medicinal Plant
BXGF02503 Balanophora laxiflora Balanophora laxiflora Others
BXGF02576 Anaphalis lactea Anaphalis lactea Others
BXGF02632 Metrodorea nigra Metrodorea nigra Others
BXGF02707 Leontopodium nanum Leontopodium nanum Others
BXGF02736 Larix decidua Larix decidua Medicinal Plant
BXGF02814 Senecio praecox Senecio praecox Others
BXGF02829 Strophanthus preussii Strophanthus preussii Others
BXGF02853 Anchusa azurea Anchusa azurea Medicinal Plant
BXGF02880 Nepeta granatensis Nepeta granatensis Others
BXGF02900 Gleichenia quadripartita Gleichenia quadripartita Others
BXGF02932 Dipsacus azureus Dipsacus azureus Others
BXGF02958 Jacquemontia paniculata Jacquemontia paniculata Others
BXGF02970 Crepis foetida Crepis foetida Medicinal Plant
BXGF02993 Caulerpa peltata Caulerpa peltata Human Edible Plant
BXGF03014 Cirsium japonicum Cirsium japonicum Medicinal Plant
BXGF03028 Lespedeza tomentosa Lespedeza tomentosa Medicinal Plant
BXGF03039 Dorstenia lindeniana Dorstenia lindeniana Others
BXGF03042 Rosa pomifera Rosa pomifera Human Edible Plant
BXGF03059 Dioscoreophyllum cumminsii Dioscoreophyllum cumminsii Medicinal Plant
BXGF03064 Degenia velebitica Degenia velebitica Others
BXGF03077 Albizia myriophylla Albizia myriophylla Medicinal Plant
BXGF03088 Erythrophleum ivorense Erythrophleum ivorense Medicinal Plant
BXGF03114 Delphinium virgatum Delphinium virgatum Others
BXGF03121 Phytolacca acinosa Phytolacca acinosa Medicinal Plant
BXGF03135 Grangea maderaspatana Grangea maderaspatana Medicinal Plant
BXGF03140 Garcinia hombroniana Garcinia hombroniana Medicinal Plant
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03167 Tagetes filifolia Tagetes filifolia Medicinal Plant
BXGF03192 Cardiospermum halicacabum Cardiospermum halicacabum Medicinal Plant
BXGF03213 Aglaia elaeagnoidea Aglaia elaeagnoidea Human Edible Plant
BXGF03217 Delphinium nuttallianum Delphinium nuttallianum Others
BXGF03251 Lupinus corymbosus Lupinus corymbosus Others
BXGF03272 Urtica triangularis Urtica triangularis Human Edible Plant
BXGF03298 Senecio behnii Senecio behnii Others
BXGF03317 Dillenia indica Dillenia indica Medicinal Plant
BXGF03320 Pouzolzia occidentalis Pouzolzia occidentalis Others
BXGF03344 Centaurea nigrescens Centaurea nigrescens Human Edible Plant
BXGF03400 Piper arboreum Piper arboreum Medicinal Plant
BXGF03431 Parastrephia lepidophylla Parastrephia lepidophylla Others
BXGF03436 Photinia serratifolia Photinia serratifolia Medicinal Plant
BXGF03445 Phlogacanthus thyrsiflorus Phlogacanthus thyrsiflorus Medicinal Plant
BXGF03455 Euphorbia segetalis Euphorbia segetalis Others
BXGF03465 Sidastrum acuminatum Sidastrum acuminatum Others
BXGF03480 Syncolostemon parviflorus Syncolostemon parviflorus Others
BXGF03491 Aristolochia elegans Aristolochia elegans Others
BXGF03503 Penstemon secundiflorus Penstemon secundiflorus Others
BXGF03512 Helichrysum chionosphaerum Helichrysum chionosphaerum Medicinal Plant
BXGF03541 Cuphea carthagenensis Cuphea carthagenensis Others
BXGF03552 Ozoroa insignis Ozoroa insignis Medicinal Plant
BXGF03571 Ruta microcarpa Ruta microcarpa Medicinal Plant
BXGF03579 Crinum defixum Crinum defixum Medicinal Plant
BXGF03677 Cynoglossum germanicum Cynoglossum germanicum Others
BXGF03742 Zanthoxylum monophyllum Zanthoxylum monophyllum Others
BXGF04229 Petunia integrifolia subsp. inflata Petunia integrifolia subsp. inflata Others
BXGF04340 Quercus rubra Quercus rubra Medicinal Plant
BXGF04756 Astragalus gummifer Astragalus gummifer Medicinal Plant
BXGF04890 Triglochin maritima Triglochin maritima Medicinal Plant
BXGF05520 Euphorbia humifusa Euphorbia humifusa Medicinal Plant
BXGF05640 Phedimus kamtschaticus Phedimus kamtschaticus Medicinal Plant
BXGF05790 Glycyrrhiza uralensis Glycyrrhiza uralensis 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