Showing entry for 1,3,6-Tri-O-Galloyl-Beta-D-Glucose


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048336
Compound Name1,3,6-Tri-O-Galloyl-Beta-D-Glucose
Structure
FormulaC27H24O18
InchiKeyRNKMOGIPOMVCHO-SJMVAQJGSA-N
SMILESO[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)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)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)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,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Weight636.1
Pubchem Id452707
Chembl IdCHEMBL389895
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 CHEMBL389895
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
P80025 BXGT011867 Lactoperoxidase reviewed - LPO Kcat '=' 63 /s
P80025 BXGT011867 Lactoperoxidase reviewed - LPO Kcat/Km '=' 50 /uM/s
P80025 BXGT011867 Lactoperoxidase reviewed - LPO Km '=' 1370 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01499 Trilisa odoratissima Trilisa odoratissima Medicinal Plant
BXGF02971 Dryopteris aitoniana Dryopteris aitoniana Others
BXGF04125 Leonurus sibiricus Leonurus sibiricus Medicinal Plant
BXGF04743 Plectranthus fruticosus Plectranthus fruticosus Medicinal Plant
BXGF04748 Holocarpha obconica Holocarpha obconica Others
BXGF04791 Zanthoxylum americanum Zanthoxylum americanum Medicinal Plant
BXGF04824 Carya tonkinensis Carya tonkinensis Human Edible Plant
BXGF04875 Bupleurum chinense Bupleurum chinense Medicinal Plant
BXGF04887 Plantago indica Plantago indica Others
BXGF04903 Argusia argentea Argusia argentea Human Edible Plant
BXGF05263 Hedyosmum arborescens Hedyosmum arborescens Others
BXGF05382 Lagerstroemia speciosa Lagerstroemia speciosa Medicinal Plant
BXGF06255 Psorospermum adamauense Psorospermum adamauense 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