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General Compound Information
BXGC IdBXGC0013491
Compound Namen.a
Structure
FormulaC10H20O2
InchiKeyRBNWAMSGVWEHFP-WAAGHKOSSA-N
SMILESC[C@]1(O)CC[C@H](CC1)C(O)(C)C
InchiInChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3/t8-,10+
IUPAC
Molecular Weight172.15
Pubchem Id
Chembl IdCHEMBL1513871
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 CHEMBL1513871
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
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 26679 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 1122 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 1122 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00011 Cashew nut Anacardium occidentale Nuts
BXGF00090 Star anise Illicium verum Herbs and Spices
BXGF00995 Dalbergia rubiginosa Dalbergia rubiginosa Others
BXGF01324 Albizia julibrissin Albizia julibrissin Medicinal Plant
BXGF01451 Mesembryanthemum tortuosum Mesembryanthemum tortuosum Medicinal Plant
BXGF01733 Caryopteris mongholica Caryopteris mongholica Others
BXGF01804 Euphorbia kansui Euphorbia kansui Medicinal Plant
BXGF02200 Mappia foetida Mappia foetida Medicinal Plant
BXGF02673 Satureja atropatana Satureja atropatana Others
BXGF05555 Anchusa officinalis Anchusa officinalis 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