Showing entry for Protoapigenone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020737
Compound NameProtoapigenone
Structure
FormulaC15H10O6
InchiKeyDLMOVPAUHQQYHA-UHFFFAOYSA-N
SMILESO=C1C=CC(C=C1)(O)c1cc(=O)c2c(o1)cc(cc2O)O
InchiInChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
IUPAC5,7-dihydroxy-2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)chromen-4-one
Molecular Weight286.05
Pubchem Id11644907
Chembl IdCHEMBL414890
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 43766
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 BXGT009417 Wee1-like protein kinase reviewed Kinase WEE1 - - - >1842
reviewed BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 - - - >1842
reviewed BXGT010049 Heat shock factor protein 1 reviewed Hsf1 - - - 4281
reviewed BXGT020189 Serine/threonine-protein kinase 33 reviewed Kinase STK33 - - - >120000
reviewed BXGT009858 DNA damage-inducible transcript 3 protein reviewed Ddit3 - 2470 - -
reviewed BXGT008348 X-box-binding protein 1 reviewed XBP1 - 3770 - -
CHEMBL CHEMBL414890
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
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity - - -
P14635 BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 EC50 '>' 1842 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 56234 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 12589 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 100000 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 35481 nM
P30291 BXGT009417 Wee1-like protein kinase reviewed Kinase WEE1 CC50 '>' 49750 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 31622 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 35481 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 223 nM
P35639 BXGT009858 DNA damage-inducible transcript 3 protein reviewed - Ddit3 IC50 '=' 2580 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 3981 nM
P17861 BXGT008348 X-box-binding protein 1 reviewed - XBP1 IC50 '=' 3840 nM
P30291 BXGT009417 Wee1-like protein kinase reviewed Kinase WEE1 EC50 '>' 1842 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 22387 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 16360 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 4441 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 30131 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 31622 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 5591 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 35481 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 31622 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 6309 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 7307 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 6513 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3162 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 44668 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 366 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 1412 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 3264 nM
P78417 BXGT011843 Glutathione S-transferase omega-1 reviewed - GSTO1 IC50 '=' 1600 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 7897 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4109 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 3981 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 517 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 2818 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P38532 BXGT010049 Heat shock factor protein 1 reviewed - Hsf1 EC50 '=' 4281 nM
P00749 BXGT005641 Urokinase-type plasminogen activator reviewed Enzyme PLAU Potency - 23280 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 70794 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 14125 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 3162 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 12589 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 44668 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1458 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05396 Daphne oleoides Daphne oleoides 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