Showing entry for (3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-methyl-8-methoxy-2,3-dihydro-4H-1-benzopyran-4-one


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038839
Compound Name(3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-methyl-8-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
Structure
FormulaC18H18O7
InchiKeyKJLKHEXGKXUNTN-SFHVURJKSA-N
SMILESCOc1c2OC[C@@](C(=O)c2c(c(c1O)C)O)(O)Cc1ccc(cc1)O
InchiInChI=1S/C18H18O7/c1-9-13(20)12-15(16(24-2)14(9)21)25-8-18(23,17(12)22)7-10-3-5-11(19)6-4-10/h3-6,19-21,23H,7-8H2,1-2H3/t18-/m0/s1
IUPAC(3S)-3,5,7-trihydroxy-3-[(4-hydroxyphenyl)methyl]-8-methoxy-6-methyl-2H-chromen-4-one
Molecular Weight346.11
Pubchem Id71625779
Chembl IdCHEMBL2385400
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 CHEMBL2385400
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
Q09137 BXGT013031 5'-AMP-activated protein kinase catalytic subunit alpha-2 reviewed - Prkaa2 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03662 Polygonatum odoratum Polygonatum odoratum 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