Showing entry for Oxopurpureine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005458
Compound NameOxopurpureine
Structure
FormulaC21H19NO6
InchiKeyAZTLZBDEFBJZQG-UHFFFAOYSA-N
SMILESCOC1=C(OC)C=C2C(=C1)C(=O)C1=NC=CC3=C1C2=C(OC)C(OC)=C3OC
InchiInChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3
IUPAC4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.02,?.013,1?]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
Molecular Weight381.38
Pubchem Id284998
Chembl IdCHEMBL456295
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 52490
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 BXGT022194 Zinc finger protein mex-5 reviewed mex-5 - - - 4831
reviewed BXGT013695 Female germline-specific tumor suppressor gld-1 reviewed gld-1 - 6152 - -
CHEMBL CHEMBL456295
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
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3548 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 35481 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 3548 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 8199 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 19952 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4109 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 11220 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 28183 nM
G5EF15 BXGT003524 Cytoplasmic zinc-finger protein unreviewed - pos-1 EC50 '=' 28614 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 70794 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 19905 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 12589 nM
P04618 BXGT006237 Protein Rev reviewed - rev IC50 '>' 75418 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 10000 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '=' 12100 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 4466 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 11220 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 12589 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 35481 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 11220 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 31622 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 6513 nM
Q17339 BXGT013695 Female germline-specific tumor suppressor gld-1 reviewed - gld-1 IC50 '=' 6152 nM
Q9XUB2 BXGT022194 Zinc finger protein mex-5 reviewed - mex-5 EC50 '=' 4831 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 10000 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 3264 nM
Q2TB90 BXGT014214 Putative hexokinase HKDC1 reviewed Kinase HKDC1 IC50 '=' 10100 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3662 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00446 Sugar apple Annona squamosa Fruits
BXGF00822 Beverages Beverages
BXGF00823 Fruits Fruits
BXGF04090 Thalictrum microgynum Thalictrum microgynum 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