Showing entry for Glabridin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0014947
Compound NameGlabridin
Structure
FormulaC20H20O4
InchiKeyLBQIJVLKGVZRIW-ZDUSSCGKSA-N
SMILESOc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C
InchiInChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
IUPAC4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Molecular Weight324.14
Pubchem Id124052
Chembl IdCHEMBL480477
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 GBJ
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
P02766 BXGT005953 Transthyretin reviewed TTR Transporter - - - -
Binding DB 50441626
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
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 7000 - - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 73400 - -
CHEMBL CHEMBL480477
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
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 11220 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 73400 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 28183 nM
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 Ka '=' 2 10'5/M
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 kinact '=' 0 min-1
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 11220 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Ki '=' 7000 nM
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 kinact '=' 0 min-1
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 183 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 103 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 18356 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 15848 nM
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 Kq '=' 1 10'12/M/s
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 KSV '=' 1 10'5/M
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 TIME '=' 1 hr
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 2 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 36 %
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 1 -
Q8IL88 BXGT018311 HSP40, subfamily A, putative unreviewed - PF3D7_1437900 AbsAC1000_uM '=' 5 uM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR Inhibition '=' 99 %
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 38 %
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR IC50 '=' 90 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 3 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Inhibition '=' 26 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00857 Mitracarpus scaber Mitracarpus scaber Others
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02381 Glycyrrhiza inflata Glycyrrhiza inflata Medicinal Plant
BXGF04872 Glycyrrhiza glabra Glycyrrhiza glabra Medicinal Plant
BXGF05790 Glycyrrhiza uralensis Glycyrrhiza uralensis 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