Showing entry for 1,3-Dimethylbenzene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003472
Compound Name1,3-Dimethylbenzene
Structure
FormulaC8H10
InchiKeyIVSZLXZYQVIEFR-UHFFFAOYSA-N
SMILESCC1=CC(C)=CC=C1
InchiInChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
IUPAC1,3-xylene
Molecular Weight106.17
Pubchem Id7929
Chembl IdCHEMBL286727
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 50008556
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 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 4900 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 2 - -
CHEMBL CHEMBL286727
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
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 39810 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 2 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 1 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 4900 nM
P00720 BXGT005625 Endolysin reviewed - E Kd '=' 364000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 74978 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 7497 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00042 Safflower Carthamus tinctorius Herbs and Spices
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00946 Artemisia montana Artemisia montana Medicinal Plant
BXGF01065 Artemisia capillaris Artemisia capillaris Medicinal Plant
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF02852 Sophora flavescens Sophora flavescens Medicinal Plant
BXGF03662 Polygonatum odoratum Polygonatum odoratum Medicinal Plant
BXGF03714 Elsholtzia splendens Elsholtzia splendens Medicinal Plant
BXGF03953 Artemisia princeps Artemisia princeps Medicinal Plant
BXGF04611 Artemisia argyi Artemisia argyi Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
BXGF05511 Acorus gramineus Acorus gramineus Medicinal Plant
BXGF06071 Acorus tatarinowii Acorus tatarinowii 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