Showing entry for Damnacanthal


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0027462
Compound NameDamnacanthal
Structure
FormulaC16H10O5
InchiKeyIPDMWUNUULAXLU-UHFFFAOYSA-N
SMILESCOc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O
InchiInChI=1S/C16H10O5/c1-21-16-11(7-17)12(18)6-10-13(16)15(20)9-5-3-2-4-8(9)14(10)19/h2-7,18H,1H3
IUPAC3-hydroxy-1-methoxy-9,10-dioxoanthracene-2-carbaldehyde
Molecular Weight282.05
Pubchem Id2948
Chembl IdCHEMBL212948
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 50366492
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 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK - 620 - -
reviewed BXGT011008 LIM domain kinase 1 reviewed Kinase LIMK1 - 800 - -
reviewed BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK - 17 - -
CHEMBL CHEMBL212948
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
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 35481 nM
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 '=' 620 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 25118 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 50118 nM
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK IC50 '=' 17 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 3548 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7079 nM
P53667 BXGT011008 LIM domain kinase 1 reviewed Kinase LIMK1 IC50 '=' 800 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 70794 nM
Q13822 BXGT013396 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 reviewed Enzyme ENPP2 Inhibition '=' 70 %
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 79432 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7943 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 39810 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 5011 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 10000 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 2667 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 39810 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 28183 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 33587 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 7079 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 56234 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00106 Mango Mangifera indica Fruits
BXGF00853 Rubia tinctorum Rubia tinctorum Medicinal Plant
BXGF01112 Garcinia cantleyana Garcinia cantleyana Others
BXGF01432 Lonicera korolkowii Lonicera korolkowii Others
BXGF02733 Pteris aquilina Pteris aquilina Medicinal Plant
BXGF03062 Daphne aurantiaca Daphne aurantiaca Others
BXGF04240 Portulaca pilosa Portulaca pilosa Medicinal Plant
BXGF04270 Croton steenkampianus Croton steenkampianus Others
BXGF05077 Eriostemon brucei Eriostemon brucei Others
BXGF05579 Hymenodictyon excelsum Hymenodictyon excelsum 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