Showing entry for 2alpha-(Hydroxymethyl)-3beta-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin 7-carbaldehyde


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040760
Compound Name2alpha-(Hydroxymethyl)-3beta-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin 7-carbaldehyde
Structure
FormulaC16H14O6
InchiKeyADXKEQTTZIGXQP-HZPDHXFCSA-N
SMILESOC[C@H]1Oc2cc(C=O)ccc2O[C@@H]1c1ccc(c(c1)O)O
InchiInChI=1S/C16H14O6/c17-7-9-1-4-13-14(5-9)21-15(8-18)16(22-13)10-2-3-11(19)12(20)6-10/h1-7,15-16,18-20H,8H2/t15-,16-/m1/s1
IUPAC(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Molecular Weight302.08
Pubchem Id72947032
Chembl IdCHEMBL3088131
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 CHEMBL3088131
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
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05257 Morinda citrifolia Morinda citrifolia 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