Showing entry for ent-Epicatechin-(4alpha->8)-catechin



                             
General Compound Information
BXGC IdBXGC0009231
Compound Nameent-Epicatechin-(4alpha->8)-catechin
Structure
FormulaC30H26O12
InchiKeyXFZJEEAOWLFHDH-UHFFFAOYSA-N
SMILESOC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1
InchiInChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2
IUPAC2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Molecular Weight578.52
Pubchem Id130556
Chembl IdCHEMBL1253314
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 CHEMBL1253314
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
P18433 BXGT008403 Receptor-type tyrosine-protein phosphatase alpha reviewed Enzyme PTPRA Activity '=' -48 %
P18433 BXGT008403 Receptor-type tyrosine-protein phosphatase alpha reviewed Enzyme PTPRA Activity '=' 24 %
P23467 BXGT008869 Receptor-type tyrosine-protein phosphatase beta reviewed - PTPRB Activity '=' 30 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00016 Peanut Arachis hypogaea Nuts
BXGF00076 Loquat Eriobotrya japonica Fruits
BXGF00130 Avocado Persea americana Vegetables
BXGF00551 Sago palm Metroxylon sagu Herbs and Spices
BXGF01823 Houttuynia cordata Houttuynia cordata Medicinal Plant
BXGF02720 Fagopyrum cymosum Fagopyrum cymosum Medicinal Plant
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03363 Hypericum japonicum Hypericum japonicum Medicinal Plant
BXGF03488 Paeonia suffruticosa Paeonia suffruticosa Medicinal Plant
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF04053 Smilax china Smilax china Medicinal Plant
BXGF04194 Fagopyrum dibotrys Fagopyrum dibotrys Medicinal Plant
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF04864 Uncaria sinensis Uncaria sinensis Medicinal Plant
BXGF04881 Fallopia multiflora Fallopia multiflora Medicinal Plant
BXGF05005 Cinnamomum cassia Cinnamomum cassia Medicinal Plant
BXGF05157 Garcinia morella Garcinia morella Medicinal Plant
BXGF05787 Smilax glabra Smilax glabra Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum 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