Showing entry for o-Xylenol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003060
Compound Nameo-Xylenol
Structure
FormulaC8H10O
InchiKeyQWBBPBRQALCEIZ-UHFFFAOYSA-N
SMILESCC1=C(C)C(O)=CC=C1
InchiInChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
IUPAC2,3-dimethylphenol
Molecular Weight122.16
Pubchem Id10687
Chembl IdCHEMBL1490403
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 CHEMBL1490403
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
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 31622 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 6309 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 37578 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00059 Arabica coffee Coffea arabica Coffee and coffee products
BXGF00081 Fig Ficus carica Fruits
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF03162 Atractylodes macrocephala Atractylodes macrocephala 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