Showing entry for Boldine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0041195
Compound NameBoldine
Structure
FormulaC19H21NO4
InchiKeyLZJRNLRASBVRRX-ZDUSSCGKSA-N
SMILESCOc1cc2c(cc1O)C[C@H]1c3c2c(OC)c(O)cc3CCN1C
InchiInChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
IUPAC(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Molecular Weight327.15
Pubchem Id10154
Chembl IdCHEMBL388342
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 50202318
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 BXGT011034 Mitochondrial peptide methionine sulfoxide reductase reviewed MSRA - 53925 - -
reviewed BXGT011034 Mitochondrial peptide methionine sulfoxide reductase reviewed MSRA - 47814 - -
reviewed BXGT008440 D(1A) dopamine receptor reviewed Drd1 - 400 - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 - 520 - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 3000 - - -
reviewed BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed CHRNA7 - 81000 - -
reviewed BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 - 10000 - -
reviewed BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed CHRNA7 67000 - - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 370 - - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 - 500 - -
reviewed BXGT008440 D(1A) dopamine receptor reviewed Drd1 290 - - -
CHEMBL CHEMBL388342
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
P43681 BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 IC50 '=' 10000 nM
P17787 BXGT008341 Neuronal acetylcholine receptor subunit beta-2 reviewed Ion channel CHRNB2 IC50 '=' 10000 nM
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki '=' 4 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 316 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 7943 nM
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
P61169 BXGT011367 D(2) dopamine receptor reviewed - Drd2 IC50 '=' 520 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 47 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 6309 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 31622 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 12589 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 1995 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 6309 nM
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 IC50 '=' 400 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 10000 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 12990 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 2511 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 25118 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
P36544 BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed - CHRNA7 IC50 '=' 81000 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 15848 nM
P43681 BXGT010407 Neuronal acetylcholine receptor subunit alpha-4 reviewed Ion channel CHRNA4 Ki '=' 3000 nM
P17787 BXGT008341 Neuronal acetylcholine receptor subunit beta-2 reviewed Ion channel CHRNB2 Ki '=' 3000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 9 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 15848 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 100 %
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 Ki '=' 290 nM
P61169 BXGT011367 D(2) dopamine receptor reviewed - Drd2 Ki '=' 370 nM
P61169 BXGT011367 D(2) dopamine receptor reviewed - Drd2 IC50 '=' 500 nM
P36544 BXGT009926 Neuronal acetylcholine receptor subunit alpha-7 reviewed - CHRNA7 Ki '=' 67000 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 8912 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 4838 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 17782 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 3548 nM
P54149 BXGT011034 Mitochondrial peptide methionine sulfoxide reductase reviewed - MSRA IC50 - 47814 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 35481 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Ki '=' 316 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 1 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00999 Vachellia karroo Vachellia karroo Medicinal Plant
BXGF02179 Cephalaria leucantha Cephalaria leucantha Others
BXGF02753 Diplacus aurantiacus Diplacus aurantiacus Others
BXGF04173 Curcuma wenyujin Curcuma wenyujin 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
BXGF05030 nectandra salicifolia nectandra salicifolia Others
BXGF05319 Lindera aggregata Lindera aggregata Others
BXGF05611 Ficus septica Ficus septica Medicinal Plant
BXGF06062 Podocarpus elatus Podocarpus elatus 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