Showing entry for sesamin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021766
Compound Namesesamin
Structure
FormulaC20H18O6
InchiKeyPEYUIKBAABKQKQ-XGMIPLPHSA-N
SMILESC1Oc2c(O1)cc(cc2)[C@H]1OCC2C1CO[C@@H]2c1ccc2c(c1)OCO2
InchiInChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13?,14?,19-,20-/m1/s1
IUPAC5-[(3S,6S)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular Weight354.11
Pubchem Id25245913
Chembl IdCHEMBL1708854
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 CHEMBL1708854
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
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 11220 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 100000 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 15848 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 100000 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 31622 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 18348 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 28183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 50118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00948 Artemisia apiacea Artemisia apiacea Medicinal Plant
BXGF00962 Machilus thunbergii Machilus thunbergii Medicinal Plant
BXGF01241 Eleutherococcus sessiliflorus Eleutherococcus sessiliflorus Medicinal Plant
BXGF01260 Eleutherococcus senticosus Eleutherococcus senticosus Medicinal Plant
BXGF01709 Hyptis tomentosa Hyptis tomentosa Medicinal Plant
BXGF03392 Paulownia tomentosa Paulownia tomentosa Medicinal Plant
BXGF03892 Sesamum indicum Sesamum indicum 0
BXGF04193 Piper longum Piper longum Medicinal Plant
BXGF05306 Tanacetum cinerariifolium Tanacetum cinerariifolium Medicinal Plant
BXGF05627 Asarum sieboldii Asarum sieboldii Medicinal Plant
BXGF05978 Hypoestes purpurea Hypoestes purpurea Medicinal Plant
BXGF06036 Eleutherococcus gracilistylus Eleutherococcus gracilistylus Others
BXGF06268 Zanthoxylum nitidum Zanthoxylum nitidum 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