Showing entry for Sennoside B


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001782
Compound NameSennoside B
Structure
FormulaC42H38O20
InchiKeyIPQVTOJGNYVQEO-AIFLABODSA-N
SMILES[H][C@@]1(C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O)[C@]1([H])C2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2)C(=O)C2=C1C=C(C=C2O)C(O)=O
InchiInChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-5
IUPAC(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-4-hydroxy-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-2-carbo
Molecular Weight862.74
Pubchem Id91440
Chembl IdCHEMBL445268
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 80739
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 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed Txnrd1 - >200000 - -
reviewed BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed Txnrd2 - >200000 - -
CHEMBL CHEMBL445268
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
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 3162 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 100 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A AC50 '=' 3693 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 3162 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 35481 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 112 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 794 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 11220 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '<' 30 %
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 1694 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 14125 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 89125 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 67 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 15848 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 15848 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 1258 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '>' 80000 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '=' 9550 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 1995 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 891 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6513 nM
O00167 BXGT003887 Eyes absent homolog 2 reviewed - EYA2 Potency - 56234 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 6309 nM
P30204 BXGT009411 Macrophage scavenger receptor types I and II reviewed - Msr1 Inhibition - - -
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 631 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 25918 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 35481 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 22387 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 22387 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 22387 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 3162 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 1000 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 1258 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 2511 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 1778 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 2667 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00154 Garden rhubarb Rheum rhabarbarum Vegetables
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF04605 Senna alexandrina Senna alexandrina Medicinal Plant
BXGF04881 Fallopia multiflora Fallopia multiflora Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum 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