Showing entry for Getiacaulein


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0015208
Compound NameGetiacaulein
Structure
FormulaC15H12O6
InchiKeyWYOSCUWDVFHQFY-UHFFFAOYSA-N
SMILESCOc1cc(O)c2c(c1)oc1c(c2=O)c(OC)c(cc1)O
InchiInChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
IUPAC2,8-dihydroxy-1,6-dimethoxyxanthen-9-one
Molecular Weight288.06
Pubchem Id5281634
Chembl IdCHEMBL467590
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 174835
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 BXGT008465 Potassium-transporting ATPase alpha chain 1 reviewed ATP4A - >100000 - -
CHEMBL CHEMBL467590
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
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 15848 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 2818 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 79432 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 14125 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 12589 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 63095 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 11220 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 22387 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
P54710 BXGT011070 Sodium/potassium-transporting ATPase subunit gamma reviewed Transporter FXYD2 IC50 '>' 100000 nM
Q13733 BXGT013394 Sodium/potassium-transporting ATPase subunit alpha-4 reviewed Transporter ATP1A4 IC50 '>' 100000 nM
P13637 BXGT007933 Sodium/potassium-transporting ATPase subunit alpha-3 reviewed Transporter ATP1A3 IC50 '>' 100000 nM
P54709 BXGT011069 Sodium/potassium-transporting ATPase subunit beta-3 reviewed Transporter ATP1B3 IC50 '>' 100000 nM
P50993 BXGT010826 Sodium/potassium-transporting ATPase subunit alpha-2 reviewed Transporter ATP1A2 IC50 '>' 100000 nM
P05026 BXGT006296 Sodium/potassium-transporting ATPase subunit beta-1 reviewed Transporter ATP1B1 IC50 '>' 100000 nM
P14415 BXGT008010 Sodium/potassium-transporting ATPase subunit beta-2 reviewed Transporter ATP1B2 IC50 '>' 100000 nM
P05023 BXGT006294 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed Transporter ATP1A1 IC50 '>' 100000 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 50118 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 23109 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 8912 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 18356 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 19011 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF01065 Artemisia capillaris Artemisia capillaris Medicinal Plant
BXGF01630 Cotula cinerea Cotula cinerea Medicinal Plant
BXGF02700 Prunus pseudocerasus Prunus pseudocerasus Medicinal Plant
BXGF03387 Gentiana kochiana Gentiana kochiana Medicinal Plant
BXGF04872 Glycyrrhiza glabra Glycyrrhiza glabra Medicinal Plant
BXGF05680 Smirnowia iranica Smirnowia iranica Others
BXGF06282 Daphne genkwa Daphne genkwa 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