Showing entry for Isoboldine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028058
Compound NameIsoboldine
Structure
FormulaC19H21NO4
InchiKeyLINHZVMHXABQLB-ZDUSSCGKSA-N
SMILESCOc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CCN1C
InchiInChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
IUPAC(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Molecular Weight327.15
Pubchem Id133323
Chembl IdCHEMBL462880
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 CHEMBL462880
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
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 31622 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 12589 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 12589 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 33498 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 19952 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31622 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 31622 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 25118 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Potency '=' 31622 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 6309 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 14125 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 31622 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 3162 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 12589 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 3971 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29855 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 31622 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 25118 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 31622 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 31622 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 35481 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00405 Quinoa Chenopodium quinoa Herbs and Spices
BXGF00999 Vachellia karroo Vachellia karroo Medicinal Plant
BXGF01025 Andira retusa Andira retusa Others
BXGF01105 Baeckea frutescens Baeckea frutescens Medicinal Plant
BXGF01198 Marrubium parviflorum Marrubium parviflorum Others
BXGF01249 Dyssodia anthemidifolia Dyssodia anthemidifolia Others
BXGF01285 Psathyrotes ramosissima Psathyrotes ramosissima Others
BXGF01298 Lychnophora pinaster Lychnophora pinaster Others
BXGF01486 Lespedeza maximowiczi Lespedeza maximowiczi Others
BXGF01569 Coprosma foetidissima Coprosma foetidissima Medicinal Plant
BXGF01659 Microglossa pyrifolia Microglossa pyrifolia Medicinal Plant
BXGF01759 Parthenium confertum Parthenium confertum Others
BXGF01796 Harpullia cupanioides Harpullia cupanioides Others
BXGF01819 Trifolium diffusum Trifolium diffusum Others
BXGF01825 Youngia japonica Youngia japonica Medicinal Plant
BXGF01847 Eriocephalus kingesii Eriocephalus kingesii Others
BXGF01877 Balanophora polyandra Balanophora polyandra Medicinal Plant
BXGF01923 Lilium rubrum Lilium rubrum Others
BXGF01943 Lobelia syphilitica Lobelia syphilitica Others
BXGF02010 Cryptocarya chinensis Cryptocarya chinensis Medicinal Plant
BXGF02106 Citrus medica Citrus medica Medicinal Plant
BXGF02179 Cephalaria leucantha Cephalaria leucantha Others
BXGF02184 Panicum crus-galli Panicum crus-galli Medicinal Plant
BXGF02210 Scleropyrum wallichianum Scleropyrum wallichianum Medicinal Plant
BXGF02381 Glycyrrhiza inflata Glycyrrhiza inflata Medicinal Plant
BXGF02582 Aconitum kusnezoffii reichb Aconitum kusnezoffii reichb Others
BXGF02703 Fissistigma oldhamii Fissistigma oldhamii Others
BXGF02753 Diplacus aurantiacus Diplacus aurantiacus Others
BXGF02862 Isodon eriocalyx Isodon eriocalyx Others
BXGF02890 Veronica stricta Veronica stricta Others
BXGF03134 Zanthoxylum ocumarense Zanthoxylum ocumarense Others
BXGF04189 Phymatopteris hastata Phymatopteris hastata Others
BXGF04260 Polanisia trachysperma Polanisia trachysperma Human Edible Plant
BXGF04321 Eupatorium rebaudianum Eupatorium rebaudianum Medicinal Plant
BXGF04399 Solanum boerhaavii Solanum boerhaavii Others
BXGF04437 Coleus wulfenioides Coleus wulfenioides Others
BXGF04476 Polygala senega Polygala senega Medicinal Plant
BXGF04505 Bursera simaruba Bursera simaruba Medicinal Plant
BXGF04510 Delphinium denudatum Delphinium denudatum Medicinal Plant
BXGF04685 Mentha incana Mentha incana Others
BXGF04764 Ericameria laricifolia Ericameria laricifolia Others
BXGF04773 Cissus quadrangularis Cissus quadrangularis Medicinal Plant
BXGF04815 Litsea cubeba Litsea cubeba Medicinal Plant
BXGF04823 Ormosia fordiana Ormosia fordiana Others
BXGF04859 Loranthus longiflorus Loranthus longiflorus Medicinal Plant
BXGF04869 Callistemon speciosus Callistemon speciosus Others
BXGF04911 Corydalis bungeanae herba Corydalis bungeanae herba Others
BXGF04912 Corydalis rhizoma Corydalis rhizoma Others
BXGF05030 nectandra salicifolia nectandra salicifolia Others
BXGF05106 Geranium collinum Geranium collinum Others
BXGF05384 Polygonatum polyanthemum Polygonatum polyanthemum Others
BXGF05607 Chenopodiastrum murale Chenopodiastrum murale Medicinal Plant
BXGF05610 Girgensohnia oppositiflora Girgensohnia oppositiflora Others
BXGF05771 Davidsonia pruriens Davidsonia pruriens Human Edible Plant
BXGF06062 Podocarpus elatus Podocarpus elatus Medicinal Plant
BXGF06065 Aralia hispida Aralia hispida 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