Showing entry for Pseudohypericin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038837
Compound NamePseudohypericin
Structure
FormulaC30H16O9
InchiKeyYXBUQQDFTYOHQI-UHFFFAOYSA-N
SMILESOCc1cc(O)c2c3c1c1c(C)cc(c4c1c1c3c3c(C2=O)c(O)cc(c3c2c1c(C4=O)c(O)cc2O)O)O
InchiInChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3
IUPAC
Molecular Weight520.08
Pubchem Id
Chembl IdCHEMBL1614664
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 50333880
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 BXGT009558 Sodium-dependent serotonin transporter reviewed Transporter SLC6A4 >10000 - - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A >10000 - - -
reviewed BXGT009237 5-hydroxytryptamine receptor 1D reviewed G-protein coupled receptor HTR1D >10000 - - -
reviewed BXGT006838 5-hydroxytryptamine receptor 2C reviewed Htr2c >10000 - - -
reviewed BXGT010507 5-hydroxytryptamine receptor 3A reviewed Ion channel HTR3A >10000 - - -
reviewed BXGT010594 5-hydroxytryptamine receptor 5A reviewed G-protein coupled receptor HTR5A >10000 - - -
reviewed BXGT010796 5-hydroxytryptamine receptor 6 reviewed G-protein coupled receptor HTR6 >10000 - - -
reviewed BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 >10000 - - -
reviewed BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A >10000 - - -
reviewed BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B >10000 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A >10000 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B >10000 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C >10000 - - -
reviewed BXGT008380 Beta-1 adrenergic receptor reviewed Adrb1 4406 - - -
reviewed BXGT008380 Beta-1 adrenergic receptor reviewed Adrb1 >10000 - - -
reviewed BXGT007586 Beta-2 adrenergic receptor reviewed Adrb2 2616 - - -
reviewed BXGT007586 Beta-2 adrenergic receptor reviewed Adrb2 >10000 - - -
reviewed BXGT007676 Muscarinic acetylcholine receptor M1 reviewed G-protein coupled receptor CHRM1 >10000 - - -
reviewed BXGT006737 Muscarinic acetylcholine receptor M2 reviewed G-protein coupled receptor CHRM2 >10000 - - -
reviewed BXGT008562 Muscarinic acetylcholine receptor M3 reviewed G-protein coupled receptor CHRM3 >10000 - - -
reviewed BXGT006738 Muscarinic acetylcholine receptor M4 reviewed G-protein coupled receptor CHRM4 >10000 - - -
reviewed BXGT006840 Muscarinic acetylcholine receptor M5 reviewed G-protein coupled receptor CHRM5 >10000 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 >10000 - - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 >10000 - - -
reviewed BXGT008448 D(3) dopamine receptor reviewed Drd3 34.5 - - -
reviewed BXGT008448 D(3) dopamine receptor reviewed Drd3 622.9 - - -
reviewed BXGT009461 D(4) dopamine receptor reviewed Drd4 1470 - - -
reviewed BXGT009461 D(4) dopamine receptor reviewed Drd4 1271 - - -
reviewed BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 >10000 - - -
reviewed BXGT009214 Sodium-dependent dopamine transporter reviewed SLC6A3 >10000 - - -
reviewed BXGT011460 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Gabra1 >10000 - - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 >10000 - - -
reviewed BXGT009534 Histamine H1 receptor reviewed Hrh1 >10000 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 >10000 - - -
reviewed BXGT011860 Delta-type opioid receptor (Fragment) reviewed OPRD1 >10000 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 >10000 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 >10000 - - -
reviewed BXGT010596 Vasopressin V1b receptor reviewed G-protein coupled receptor AVPR1B >10000 - - -
reviewed BXGT009428 Vasopressin V2 receptor reviewed G-protein coupled receptor AVPR2 >10000 - - -
reviewed BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed Txnrd1 - 4406 - -
reviewed BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed Txnrd1 1900 - - -
reviewed BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed Txnrd2 - 7447 - -
reviewed BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed Txnrd1 8100 - - -
reviewed BXGT010274 Glutathione reductase reviewed GLR1 - 2200 - -
CHEMBL CHEMBL1614664
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
Q9Z0J5 BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed - Txnrd2 Inhibition - - -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 IC50 '=' 4600 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Inhibition - - -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Ki '=' 8100 nM
P41921 BXGT010274 Glutathione reductase reviewed - GLR1 IC50 '=' 2200 nM
Q9Z0J5 BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed - Txnrd2 IC50 '=' 7447 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Ki '=' 1900 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 IC50 '=' 4405 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Inhibition '=' 50 %
Q9Z0J5 BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed - Txnrd2 IC50 '=' 7900 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04424 Hypericum triquetrifolium Hypericum triquetrifolium Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
BXGF05269 Hypericum perforatum Hypericum perforatum 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