Showing entry for Xanthohumol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0008873
Compound NameXanthohumol
Structure
FormulaC21H22O5
InchiKeyORXQGKIUCDPEAJ-YRNVUSSQSA-N
SMILESCOC1=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1
InchiInChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
IUPAC(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight354.4
Pubchem Id639665
Chembl IdCHEMBL253896
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 50384998
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 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA - >100000 - -
reviewed BXGT017620 Thioredoxin reductase 3 reviewed Enzyme TXNRD3 - >40000 - -
reviewed BXGT022346 Lymphocyte antigen 96 reviewed Receptor LY96 - - 460000 -
reviewed BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - 2100 - -
reviewed BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - 2900 - -
reviewed BXGT004177 3-phosphoinositide-dependent protein kinase 1 reviewed Kinase PDPK1 - 6600 - -
reviewed BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ - >100000 - -
CHEMBL CHEMBL253896
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
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Activity - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Activity - - -
Q04759 BXGT012781 Protein kinase C theta type reviewed Kinase PRKCQ IC50 '>' 100000 nM
Q86VQ6 BXGT017620 Thioredoxin reductase 3 reviewed Enzyme TXNRD3 IC50 '>' 40000 nM
Q9NNW7 BXGT021139 Thioredoxin reductase 2, mitochondrial reviewed Enzyme TXNRD2 IC50 '>' 40000 nM
Q16881 BXGT013688 Thioredoxin reductase 1, cytoplasmic reviewed Enzyme TXNRD1 IC50 '>' 40000 nM
P53563 BXGT010994 Bcl-2-like protein 1 reviewed - Bcl2l1 Activity - - -
P53778 BXGT011013 Mitogen-activated protein kinase 12 reviewed Kinase MAPK12 Activity - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Activity - - -
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Activity - - -
O15264 BXGT004144 Mitogen-activated protein kinase 13 reviewed Kinase MAPK13 Activity - - -
Q9ERM3 BXGT020310 Diacylglycerol O-acyltransferase 1 reviewed - Dgat1 Inhibition - - -
O15530 BXGT004177 3-phosphoinositide-dependent protein kinase 1 reviewed Kinase PDPK1 IC50 '=' 6600 nM
Q9Y6Y9 BXGT022346 Lymphocyte antigen 96 reviewed Receptor LY96 Kd '=' 460000 nM
P47196 BXGT010567 RAC-alpha serine/threonine-protein kinase reviewed - Akt1 Inhibition - - -
P17252 BXGT008294 Protein kinase C alpha type reviewed Kinase PRKCA IC50 '>' 100000 nM
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES Activity '=' 32 %
P55213 BXGT011113 Caspase-3 reviewed - Casp3 Activity - - -
P45984 BXGT010495 Mitogen-activated protein kinase 9 reviewed Kinase MAPK9 Activity - - -
Q9Y6Y9 BXGT022346 Lymphocyte antigen 96 reviewed Receptor LY96 Inhibition '=' 48 %
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 2100 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 EC50 - - -
Q64669 BXGT016128 NAD(P)H dehydrogenase [quinone] 1 reviewed - Nqo1 CD '=' 1 uM
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 2900 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Emax - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00248 Beer Beverages
BXGF00303 Chia Salvia hispanica Herbs and Spices
BXGF00806 Alcoholic beverages Beverages
BXGF00998 Syncarpia hillii Syncarpia hillii Others
BXGF01168 Erysimum leptophyllum Erysimum leptophyllum Others
BXGF01255 Lemaireocereus griseus Lemaireocereus griseus Human Edible Plant
BXGF01295 Chondrodendron tomentosum Chondrodendron tomentosum Medicinal Plant
BXGF01354 Haplophyllum obtusifolium Haplophyllum obtusifolium Others
BXGF01455 Diospyros eriantha Diospyros eriantha Others
BXGF01491 Alkanna cappadocica Alkanna cappadocica Medicinal Plant
BXGF01524 Artemisia dentata Artemisia dentata Others
BXGF01621 Syzygium polycephaloides Syzygium polycephaloides Human Edible Plant
BXGF01633 Scorzonera pseudodivaricata Scorzonera pseudodivaricata Others
BXGF01649 Rapanea lancifolia Rapanea lancifolia Others
BXGF01670 Ononis vaginalis Ononis vaginalis Others
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF02202 Piper regnellii Piper regnellii Medicinal Plant
BXGF02287 Gymnocalycium schickendantzii Gymnocalycium schickendantzii Others
BXGF02445 Onopordum acanthium Onopordum acanthium Medicinal Plant
BXGF02500 Pancratium sickenbergeri Pancratium sickenbergeri Others
BXGF02573 Centaurea maculosa Centaurea maculosa Others
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF02663 Atalantia racemosa Atalantia racemosa Medicinal Plant
BXGF02695 Plathymenia reticulata Plathymenia reticulata Others
BXGF02729 Asimina parviflora Asimina parviflora Medicinal Plant
BXGF02774 Pteridium esculentum Pteridium esculentum Medicinal Plant
BXGF02813 Esenbeckia leiocarpa Esenbeckia leiocarpa Others
BXGF02852 Sophora flavescens Sophora flavescens Medicinal Plant
BXGF02929 Hypericum styphelioides Hypericum styphelioides Others
BXGF02973 Vellozia nanuzae Vellozia nanuzae Others
BXGF02992 Baccharis neglecta Baccharis neglecta Others
BXGF03012 Atraphaxis spinosa Atraphaxis spinosa Medicinal Plant
BXGF03027 Embelia schimperi Embelia schimperi Medicinal Plant
BXGF03087 Epilobium hirsutum Epilobium hirsutum Medicinal Plant
BXGF03106 Lythrum salicaria Lythrum salicaria Medicinal Plant
BXGF03113 Simarouba glauca Simarouba glauca Medicinal Plant
BXGF03126 Erythrina melanacantha Erythrina melanacantha Medicinal Plant
BXGF03151 Monsonia senegalensis Monsonia senegalensis Human Edible Plant
BXGF03157 Clerodendrum bungei Clerodendrum bungei Medicinal Plant
BXGF03186 Lemaireocereus longispinus Lemaireocereus longispinus Others
BXGF03197 Eria anomala Eria anomala Others
BXGF03208 Embelia parviflora Embelia parviflora Medicinal Plant
BXGF03250 Euphorbia nematocypha Euphorbia nematocypha Medicinal Plant
BXGF03279 Abelia chinensis Abelia chinensis Unclassified
BXGF03297 Diospyros assimilis Diospyros assimilis Medicinal Plant
BXGF03310 Faramea salicifolia Faramea salicifolia Others
BXGF03342 Buddleja cordata Buddleja cordata Others
BXGF03564 Vernonia fagifolia Vernonia fagifolia Others
BXGF03570 Cordia leucocephala Cordia leucocephala Others
BXGF03747 Millettia erythrocalyx Millettia erythrocalyx Medicinal Plant
BXGF03814 Juniperus rigida var. conferta Juniperus rigida var. conferta Medicinal Plant
BXGF03978 Hoffmannia strigillosa Hoffmannia strigillosa Others
BXGF04584 Helichrysum tenuifolium Helichrysum tenuifolium Others
BXGF05010 Morella rubra Morella rubra 0
BXGF05560 Crambe tatarica Crambe tatarica Medicinal Plant
BXGF06116 Pteris semipinnata Pteris semipinnata Others
BXGF06193 Fritillaria ningguoensis Fritillaria ningguoensis 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