Showing entry for Purpurin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031717
Compound NamePurpurin
Structure
FormulaC14H8O5
InchiKeyBBNQQADTFFCFGB-UHFFFAOYSA-N
SMILESOc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O
InchiInChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
IUPAC1,2,4-trihydroxyanthracene-9,10-dione
Molecular Weight256.04
Pubchem Id6683
Chembl IdCHEMBL294264
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 9TF
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
P53355 BXGT010985 Death-associated protein kinase 1 reviewed DAPK1 Kinase - - - -
Q9X1H4 BXGT024821 Ribonuclease P protein component reviewed rnpA - 1900 - - -
Binding DB 67454
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 BXGT013695 Female germline-specific tumor suppressor gld-1 reviewed gld-1 - 6688 - -
reviewed BXGT006753 Heat shock protein HSP 90-beta reviewed Chaperone HSP90AB1 - 5560 - -
CHEMBL CHEMBL294264
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
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 22387 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 50118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 100 %
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 12589 nM
P50281 BXGT010788 Matrix metalloproteinase-14 reviewed Enzyme MMP14 IC50 '=' 30600 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 25118 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 35481 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 15848 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 5011 nM
P04618 BXGT006237 Protein Rev reviewed - rev IC50 '>' 75434 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 79432 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 75193 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 28183 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 10000 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 3162 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 7079 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 7943 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 31622 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 31622 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 31622 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 3981 nM
Q17339 BXGT013695 Female germline-specific tumor suppressor gld-1 reviewed - gld-1 IC50 '=' 6688 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 6309 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 28183 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 22387 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 5011 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 316 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 50118 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 19952 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 3981 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 28183 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 31622 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 63095 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 15848 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 7943 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 6012 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 6309 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 25118 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency '=' 39810 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 35481 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 11220 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 11220 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 98 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Activity '=' 63 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 39810 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 26679 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 17782 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 9200 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 26854 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 12589 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 23 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Activity '=' 54 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 37933 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 2500 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '>' 40000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA TDI - - -
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 3548 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 42561 nM
P9WQ59 BXGT012488 Long-chain-fatty-acid--AMP ligase FadD28 reviewed - fadD28 AC50 - 2730 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 10000 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 50118 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 2200 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 18887 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 50118 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 7079 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 50118 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Activity '=' 55 %
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 891 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 5500 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Activity '=' 36 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 422 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00853 Rubia tinctorum Rubia tinctorum Medicinal Plant
BXGF02158 Croton penduliflorus Croton penduliflorus Others
BXGF02459 Asperula odorata Asperula odorata Medicinal Plant
BXGF02953 Populus tomentosa Populus tomentosa Medicinal Plant
BXGF03007 Litsea konishii Litsea konishii Others
BXGF03102 Vepris louisii Vepris louisii Medicinal Plant
BXGF03143 Asperula odora Asperula odora Medicinal Plant
BXGF03158 Rheum officinale Rheum officinale Medicinal Plant
BXGF03210 Alangium platanifolium Alangium platanifolium Medicinal Plant
BXGF03988 Rheum coreanum Rheum coreanum Others
BXGF04258 Rubia cordifolia Rubia cordifolia Medicinal Plant
BXGF04539 Rheum palmatum Rheum palmatum Medicinal Plant
BXGF04573 Rubia akane Rubia akane Medicinal Plant
BXGF04917 Cassia obtusifolia Cassia obtusifolia Medicinal Plant
BXGF05877 Rheum tanguticum Rheum tanguticum Medicinal Plant
BXGF05950 Lychnophora columnaris Lychnophora columnaris Others
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