Showing entry for Glycyrrhetic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0011627
Compound NameGlycyrrhetic acid
Structure
FormulaC30H46O4
InchiKeyMPDGHEJMBKOTSU-YKLVYJNSSA-N
SMILES[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
InchiInChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
IUPAC(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Molecular Weight470.69
Pubchem Id10114
Chembl IdCHEMBL230006
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 CBW
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
Q8N8N7 BXGT018529 Prostaglandin reductase 2 reviewed PTGR2 Enzyme - - - -
Q9CPU0 BXGT020248 Lactoylglutathione lyase reviewed Glo1 - - - - -
A7XS03 BXGT001638 Glucuronidase unreviewed Pgus - - - - -
Binding DB 50233538
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 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 - 525 - -
reviewed BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 - 550 - -
reviewed BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 420 - - -
reviewed BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 290 - - -
reviewed BXGT011959 Cholinesterase reviewed BCHE >100000 - - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache >100000 - - -
reviewed BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH - - 250 -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 29 - -
reviewed BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 - 1.2 - -
reviewed BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 40 - -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 13 - -
reviewed BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 5 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - >20000 - -
reviewed BXGT008330 Tyrosine-protein phosphatase non-receptor type 2 reviewed PTPN2 - >20000 - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 - 20970 - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 - 69260 - -
reviewed BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 90 - -
reviewed BXGT010784 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Hsd11b2 - 360 - -
reviewed BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 - 257 - -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 778 - -
reviewed BXGT012856 Tyrosine-protein phosphatase non-receptor type 11 reviewed PTPN11 - 9600 - -
reviewed BXGT009335 Tyrosine-protein phosphatase non-receptor type 6 reviewed PTPN6 - 65400 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 45800 - -
reviewed BXGT009802 Tyrosine-protein phosphatase non-receptor type 7 reviewed Enzyme PTPN7 - >300000 - -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 8.6 - -
reviewed BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed HSD11B1 - 11.78 - -
reviewed BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 10.58 - -
reviewed BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 - 4900 - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 280000 - -
reviewed BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed Hsd11b1 - 2 - -
CHEMBL CHEMBL230006
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
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition - - -
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition '=' 6 %
P00690 BXGT005612 Pancreatic alpha-amylase reviewed - AMY2 IC50 '>' 200000 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 4 %
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 8087 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Activity '=' 5 %
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD Activity - - -
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Activity '=' 6 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 39810 nM
Q06124 BXGT012856 Tyrosine-protein phosphatase non-receptor type 11 reviewed - PTPN11 IC50 '=' 9600 nM
P17706 BXGT008330 Tyrosine-protein phosphatase non-receptor type 2 reviewed - PTPN2 IC50 '>' 20000 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 10000 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH Kd '=' 250 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition - - -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Ki '=' 290 nM
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 Activity '=' 24 %
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '=' 91 %
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 40 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 4 %
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition '=' 93 %
P29350 BXGT009335 Tyrosine-protein phosphatase non-receptor type 6 reviewed - PTPN6 IC50 '=' 65400 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 8 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 IC50 '=' 4900 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Activity '=' 16 %
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 45800 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 11 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 7307 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 IC50 '=' 257 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Ratio IC50 '=' 2 -
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 778 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '=' 49 %
P16232 BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 Inhibition '=' 85 %
P35236 BXGT009802 Tyrosine-protein phosphatase non-receptor type 7 reviewed Enzyme PTPN7 IC50 '>' 300000 nM
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 13 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 7499 nM
P50233 BXGT010784 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed - Hsd11b2 IC50 '=' 360 nM
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 Inhibition '=' 96 %
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 10 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '>' 20000 nM
P16232 BXGT008207 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 90 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition - - -
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 Activity '=' 53 %
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 IC50 - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 12589 nM
P50233 BXGT010784 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed - Hsd11b2 Inhibition - - -
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 IC50 '=' 1 nM
P45984 BXGT010495 Mitogen-activated protein kinase 9 reviewed Kinase MAPK9 Activity - - -
P53779 BXGT011014 Mitogen-activated protein kinase 10 reviewed Kinase MAPK10 Activity - - -
P45983 BXGT010494 Mitogen-activated protein kinase 8 reviewed Kinase MAPK8 Activity - - -
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 11 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition '=' 49 %
P02699 BXGT005925 Rhodopsin reviewed - RHO Activity - - -
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '=' 94 %
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 23934 nM
Q9Z1B7 BXGT022403 Mitogen-activated protein kinase 13 reviewed - Mapk13 Inhibition - - -
Q9WUI1 BXGT021940 Mitogen-activated protein kinase 11 reviewed - Mapk11 Inhibition - - -
O08911 BXGT004043 Mitogen-activated protein kinase 12 reviewed - Mapk12 Inhibition - - -
P47811 BXGT010587 Mitogen-activated protein kinase 14 reviewed - Mapk14 Inhibition - - -
Q9Z1E3 BXGT022404 NF-kappa-B inhibitor alpha reviewed - Nfkbia Inhibition - - -
P31210 BXGT009513 Aldo-keto reductase family 1 member D1 reviewed - Akr1d1 Activity - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 24813 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 IC50 '=' 549 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -3 %
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB Inhibition - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Inhibition - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 89 nM
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 5 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 IC50 '=' 20970 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2371 nM
P51661 BXGT010873 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed - Hsd11b2 IC50 - - -
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '>' 90 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Ki '>' 100000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Ki '=' 420 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 11 %
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Inhibition '=' 99 %
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 316 nM
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Inhibition - - -
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 IC50 '=' 29 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 33587 nM
Q9QUK6 BXGT021375 Toll-like receptor 4 reviewed - Tlr4 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 280000 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 IC50 '=' 1 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 25059 nM
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 Activity '=' 7 %
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '=' 83 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 35 %
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 IC50 - - -
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '=' 16 %
P00489 BXGT005553 Glycogen phosphorylase, muscle form reviewed - PYGM IC50 '=' 66000 nM
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 2 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Ki '>' 100000 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 37685 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 IC50 '=' 524 nM
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 IC50 '=' 7 nM
P50172 BXGT010778 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - Hsd11b1 Inhibition '=' 94 %
P28845 BXGT009297 Corticosteroid 11-beta-dehydrogenase isozyme 1 reviewed - HSD11B1 Inhibition '=' 96 %
P80365 BXGT011895 Corticosteroid 11-beta-dehydrogenase isozyme 2 reviewed Enzyme HSD11B2 IC50 '=' 1 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 IC50 '=' 69260 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Inhibition '=' 34 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Inhibition '=' -2 %
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 IC50 '>' 10000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00818 Herbs and Spices Herbs and Spices
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