Showing entry for Cichoric Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028696
Compound NameCichoric Acid
Structure
FormulaC22H18O12
InchiKeyYDDGKXBLOXEEMN-IABMMNSOSA-N
SMILESO=C(O[C@H]([C@H](C(=O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
InchiInChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
IUPAC(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
Molecular Weight474.08
Pubchem Id5281764
Chembl IdCHEMBL282731
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 GKP
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
Q90249 BXGT019268 Basic phospholipase A2 homolog bothropstoxin-1 reviewed - - - - -
Binding DB n.a
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
CHEMBL CHEMBL282731
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
P42224 BXGT010286 Signal transducer and activator of transcription 1-alpha/beta reviewed Nucleic acid binding STAT1 Inhibition '=' 0 %
P45984 BXGT010495 Mitogen-activated protein kinase 9 reviewed Kinase MAPK9 Inhibition - - -
P53779 BXGT011014 Mitogen-activated protein kinase 10 reviewed Kinase MAPK10 Inhibition - - -
P45983 BXGT010494 Mitogen-activated protein kinase 8 reviewed Kinase MAPK8 Inhibition - - -
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 24900 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 501 nM
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 Inhibition '=' 12 %
P06239 BXGT006427 Tyrosine-protein kinase Lck reviewed Kinase LCK Inhibition '=' 9 %
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 13700 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 6 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 200 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 39810 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 1100 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 800 nM
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 7 ug.mL-1
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 794 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 3349 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol Kd '=' 3000 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA Activity - - -
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 Inhibition - - -
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 15848 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '<' 200 nM
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC Inhibition '=' 12 %
P51692 BXGT010885 Signal transducer and activator of transcription 5B reviewed Nucleic acid binding STAT5B Inhibition '=' 11 %
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3981 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 2818 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 2818 nM
P53778 BXGT011013 Mitogen-activated protein kinase 12 reviewed Kinase MAPK12 Inhibition - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Inhibition - - -
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Inhibition - - -
O15264 BXGT004144 Mitogen-activated protein kinase 13 reviewed Kinase MAPK13 Inhibition - - -
P25963 BXGT009080 NF-kappa-B inhibitor alpha reviewed - NFKBIA Inhibition - - -
O15111 BXGT004126 Inhibitor of nuclear factor kappa-B kinase subunit alpha reviewed Kinase CHUK Inhibition - - -
O14920 BXGT004110 Inhibitor of nuclear factor kappa-B kinase subunit beta reviewed Kinase IKBKB Inhibition - - -
Q76353 BXGT016849 Integrase unreviewed - IC50 '=' 34 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF00181 Dandelion Taraxacum officinale Herbs and Spices
BXGF01545 Balanophora harlandii Balanophora harlandii Others
BXGF01668 Taraxacum platycarpum Taraxacum platycarpum Medicinal Plant
BXGF02152 Taraxacum borealisinense Taraxacum borealisinense Others
BXGF02377 Cichorium glandulosum Cichorium glandulosum Others
BXGF02493 Polemonium caeruleum Polemonium caeruleum Medicinal Plant
BXGF03307 Strychnos ledermannii Strychnos ledermannii Others
BXGF03630 Taraxacum coreanum Taraxacum coreanum Others
BXGF03838 Euphorbia biglandulosa Euphorbia biglandulosa Others
BXGF04310 Taraxacum mongolicum Taraxacum mongolicum Medicinal Plant
BXGF04698 Isodon rubescens Isodon rubescens Others
BXGF04902 Lupinus cosentinii Lupinus cosentinii Others
BXGF05359 Viburnum davidii Viburnum davidii Others
BXGF05400 Agathosma scaberula Agathosma scaberula Others
BXGF05811 Echinacea angustifolia Echinacea angustifolia 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