Showing entry for 1-(2,6-Dihydroxyphenyl)Dodecan-1-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0015314
Compound Name1-(2,6-Dihydroxyphenyl)Dodecan-1-One
Structure
FormulaC18H28O3
InchiKeyWPFIJMIBEGNIHW-UHFFFAOYSA-N
SMILESCCCCCCCCCCCC(=O)c1c(O)cccc1O
InchiInChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15(19)18-16(20)13-11-14-17(18)21/h11,13-14,20-21H,2-10,12H2,1H3
IUPAC1-(2,6-dihydroxyphenyl)dodecan-1-one
Molecular Weight292.2
Pubchem Id365016
Chembl IdCHEMBL1528835
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 57937
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 BXGT007576 Streptokinase A reviewed ska - - - 150000
reviewed BXGT010049 Heat shock factor protein 1 reviewed Hsf1 - - - 60150
reviewed BXGT010341 Huntingtin reviewed HTT - 15801 - -
CHEMBL CHEMBL1528835
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
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 37650 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 15848 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 15848 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 9200 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 16944 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 11220 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 22387 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 1000 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 39810 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 70794 nM
P38532 BXGT010049 Heat shock factor protein 1 reviewed - Hsf1 EC50 '=' 60150 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '>' 150000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 2238 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 12589 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 11220 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 1581 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 25118 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 23778 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 100000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01144 Lespedeza cyrtobotrya Lespedeza cyrtobotrya Medicinal Plant
BXGF01817 Uvaria ferruginea Uvaria ferruginea Others
BXGF01872 Teucrium fragile Teucrium fragile Others
BXGF02174 Trichilia dregeana Trichilia dregeana Medicinal Plant
BXGF02386 Ptelea crenulata Ptelea crenulata Others
BXGF02405 Hymenaea oblongifolia Hymenaea oblongifolia Others
BXGF02510 Flaveria bidentis Flaveria bidentis Medicinal Plant
BXGF02525 Sansevieria ehrenbergii Sansevieria ehrenbergii Human Edible Plant
BXGF05699 Cnidoscolus texanus Cnidoscolus texanus Others
BXGF05974 Diospyros montana Diospyros montana Medicinal Plant
BXGF06210 Veronica anagallis-aquatica Veronica anagallis-aquatica 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