Showing entry for 1-Isothiocyanato-5-[(S)-Methylsulfinyl]Pentane


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017917
Compound Name1-Isothiocyanato-5-[(S)-Methylsulfinyl]Pentane
Structure
FormulaC7H13NOS2
InchiKeyIUUQPVQTAUKPPB-NSHDSACASA-N
SMILESS=C=NCCCCC[S@@](=O)C
InchiInChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3/t11-/m0/s1
IUPAC1-isothiocyanato-5-[(S)-methylsulfinyl]pentane
Molecular Weight191.04
Pubchem Id51548324
Chembl IdCHEMBL3337754
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 CHEMBL3337754
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
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00121 Olive Olea europaea Vegetables
BXGF03296 Woodsia manchuriensis Woodsia manchuriensis Others
BXGF04511 Eritrichium sericeum Eritrichium sericeum Others
BXGF04550 Chrysosplenium americanum Chrysosplenium americanum Medicinal Plant
BXGF04580 Phlogacanthus tubiflorus Phlogacanthus tubiflorus Human Edible Plant
BXGF04606 Anemone tomentosa Anemone tomentosa Others
BXGF04653 Sabia japonica Sabia japonica 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