Showing entry for Scoulerine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0025394
Compound NameScoulerine
Structure
FormulaC19H21NO4
InchiKeyKNWVMRVOBAFFMH-HNNXBMFYSA-N
SMILESCOc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC
InchiInChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
IUPAC(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Molecular Weight327.15
Pubchem Id439654
Chembl IdCHEMBL1235966
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 SLX
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
P30986 BXGT009489 Reticuline oxidase reviewed BBE1 - - - - -
I3V6A7 BXGT024267 Scoulerine-9-O-methyltransferase 1 (PsSOMT1) reviewed SOMT1 - - - - -
Q5C9L2 BXGT024946 (S)-scoulerine 9-O-methyltransferase unreviewed - - - - -
Binding DB 83974
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 BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - 16300 - -
reviewed BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - >100000 - -
reviewed BXGT011111 Caspase-9 reviewed Enzyme CASP9 - 4300 - -
reviewed BXGT005384 Tyrosyl-DNA phosphodiesterase 2 reviewed TDP2 - 128332 - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 22 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 214 - - -
CHEMBL CHEMBL1235966
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
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 12589 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 214 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 20596 nM
O95551 BXGT005384 Tyrosyl-DNA phosphodiesterase 2 reviewed - TDP2 IC50 '>' 128332 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 4466 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 89125 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 14125 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 50118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4610 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '>' 100000 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 14125 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4610 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 10000 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 15848 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '=' 16300 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 12516 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 12516 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Inhibition '=' 99 %
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki - - -
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Inhibition '=' 14 %
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Inhibition '=' 93 %
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 11220 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 11155 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 44668 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 22 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 2592 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Inhibition '=' 20 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4109 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
BXGF00446 Sugar apple Annona squamosa Fruits
BXGF00883 Chrozophora prostrata Chrozophora prostrata Medicinal Plant
BXGF01731 Corydalis turtschaninovii Corydalis turtschaninovii Human Edible Plant
BXGF03037 Corydalis cava Corydalis cava Medicinal Plant
BXGF03870 Aloe microstigma Aloe microstigma Others
BXGF04006 Corydalis ternata Corydalis ternata Others
BXGF04356 Erycibe obtusifolia benth Erycibe obtusifolia benth Others
BXGF04911 Corydalis bungeanae herba Corydalis bungeanae herba Others
BXGF04912 Corydalis rhizoma Corydalis rhizoma Others
BXGF05994 Corydalis yanhusuo Corydalis yanhusuo 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