Showing entry for 1-Isothiocyanatohexane


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009624
Compound Name1-Isothiocyanatohexane
Structure
FormulaC7H13NS
InchiKeyWXYAXKKXIGHXDS-UHFFFAOYSA-N
SMILESCCCCCCN=C=S
InchiInChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
IUPAC1-isothiocyanatohexane
Molecular Weight143.25
Pubchem Id78120
Chembl IdCHEMBL298717
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 CHEMBL298717
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
P47199 BXGT010568 Quinone oxidoreductase reviewed - Cryz CD '=' 15 uM
Q64669 BXGT016128 NAD(P)H dehydrogenase [quinone] 1 reviewed - Nqo1 CD '=' 15 uM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00809 Brassicas Vegetables
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