Showing entry for Xanthoangelol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001079
Compound NameXanthoangelol
Structure
FormulaC25H28O4
InchiKeyLRSMBOSQWGHYCW-MDGZPELGSA-N
SMILESCC(C)=CCC\C(C)=C\CC1=C(O)C(=CC=C1O)C(=O)\C=C\C1=CC=C(O)C=C1
InchiInChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
IUPAC(2E)-1-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight392.49
Pubchem Id643007
Chembl IdCHEMBL494083
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 70842
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 BXGT016046 ADP-ribosylation factor GTPase-activating protein 1 reviewed Arfgap1 - >164708 - -
CHEMBL CHEMBL494083
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
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 177 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 1019 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 11220 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 25929 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 14125 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 79 %
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 1 ug.mL-1
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 18356 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 3981 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7943 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 31622 nM
P19357 BXGT008475 Solute carrier family 2, facilitated glucose transporter member 4 reviewed - Slc2a4 Ratio '=' 1 -
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 16420 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 4466 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 4466 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 4466 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 39810 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 31622 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 125 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 50118 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 35481 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 50118 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3981 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 3186 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 79432 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 50118 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 39810 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 88400 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 32642 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q62848 BXGT016046 ADP-ribosylation factor GTPase-activating protein 1 reviewed - Arfgap1 IC50 - 164708 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency - 50118 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
BXGF00001 Angelica Angelica keiskei Herbs and Spices
BXGF00869 Teucrium betonicum Teucrium betonicum Others
BXGF01998 Paeonia rockii Paeonia rockii Others
BXGF02368 Amorpha fruticosa Amorpha fruticosa Medicinal Plant
BXGF05603 Angelica archangelica Angelica archangelica 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