Showing entry for Anisole


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0015779
Compound NameAnisole
Structure
FormulaC7H8O
InchiKeyRDOXTESZEPMUJZ-UHFFFAOYSA-N
SMILESCOc1ccccc1
InchiInChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
IUPACanisole
Molecular Weight108.06
Pubchem Id7519
Chembl IdCHEMBL278024
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 50386177
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 BXGT008802 Carbonic anhydrase 4 reviewed CA4 14320 - - -
reviewed BXGT008844 Carbonic anhydrase 6 reviewed CA6 234700 - - -
CHEMBL CHEMBL278024
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
P02769 BXGT005956 Serum albumin reviewed - ALB Log 1/C '=' 4 -
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 91 %
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 100 %
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 14320 nM
P23280 BXGT008844 Carbonic anhydrase 6 reviewed - CA6 Ki '=' 234700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF05853 Cannabis sativa Cannabis sativa Medicinal Plant
BXGF06070 Perilla frutescens Perilla frutescens 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