Showing entry for Rediocide A


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048578
Compound NameRediocide A
Structure
FormulaC44H58O13
InchiKeyZAVYYYQORHVVFN-BDGVIKSFSA-N
SMILESOC[C@]12O[C@H]1[C@@H]1[C@]34[C@H]5[C@@]([C@@H]2O)(O)[C@@H](OC(=O)/C=C/C=C/[C@@H]([C@@H]2[C@H]([C@@H](C[C@@]([C@]6([C@@H]1OC(O3)(O[C@H]6[C@H]4C)c1ccccc1)O)(C)O)CC2)C)OC(=O)CC(C)C)[C@H](C5)C
InchiInChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H
IUPAC
Molecular Weight794.39
Pubchem Id44575544
Chembl IdCHEMBL454246
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 50396184
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 BXGT010592 Glucagon receptor reviewed G-protein coupled receptor GCGR - 4 - -
reviewed BXGT010880 C-C chemokine receptor type 6 reviewed G-protein coupled receptor CCR6 - 261 - -
reviewed BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B - 215 - -
reviewed BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A - 13 - -
CHEMBL CHEMBL454246
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
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A IC50 '=' 13 nM
P47871 BXGT010592 Glucagon receptor reviewed G-protein coupled receptor GCGR Activity - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Activity - - -
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B IC50 '=' 215 nM
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ Activity - - -
Q15139 BXGT013546 Serine/threonine-protein kinase D1 reviewed Kinase PRKD1 Activity - - -
P24723 BXGT008989 Protein kinase C eta type reviewed Kinase PRKCH Activity - - -
Q02156 BXGT012639 Protein kinase C epsilon type reviewed Kinase PRKCE Activity - - -
Q05513 BXGT012820 Protein kinase C zeta type reviewed Kinase PRKCZ Activity - - -
P05771 BXGT006384 Protein kinase C beta type reviewed Kinase PRKCB Activity - - -
Q05655 BXGT012832 Protein kinase C delta type reviewed Kinase PRKCD Activity - - -
P05129 BXGT006322 Protein kinase C gamma type reviewed Kinase PRKCG Activity - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA Activity - - -
P41743 BXGT010270 Protein kinase C iota type reviewed Kinase PRKCI Activity - - -
O94806 BXGT005335 Serine/threonine-protein kinase D3 reviewed Kinase PRKD3 Activity - - -
P47871 BXGT010592 Glucagon receptor reviewed G-protein coupled receptor GCGR IC50 '=' 4 nM
P51684 BXGT010880 C-C chemokine receptor type 6 reviewed G-protein coupled receptor CCR6 IC50 '=' 261 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02555 Trigonostemon reidioides Trigonostemon reidioides 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