Showing entry for alpha,beta-Dihydroxanthohumol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0007228
Compound Namealpha,beta-Dihydroxanthohumol
Structure
FormulaC21H24O5
InchiKeySVTCZHIDEDUTBH-UHFFFAOYSA-N
SMILESCOC1=C(C(=O)CCC2=CC=C(O)C=C2)C(O)=C(CC=C(C)C)C(O)=C1
InchiInChI=1S/C21H24O5/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/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3
IUPAC1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Molecular Weight356.41
Pubchem Id10450920
Chembl IdCHEMBL510279
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 76566
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 BXGT010317 Caspase-3 reviewed Enzyme CASP3 - >100000 - -
reviewed BXGT019693 Sentrin-specific protease 8 reviewed SENP8 - 13300 - -
reviewed BXGT020423 Sentrin-specific protease 6 reviewed Enzyme SENP6 - 10000 - -
reviewed BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R - - - >89202
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 - - - >64584
CHEMBL CHEMBL510279
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
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 22387 nM
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 IC50 '>' 100000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q96LD8 BXGT019693 Sentrin-specific protease 8 reviewed - SENP8 IC50 '=' 13300 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 2511 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 3662 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 44668 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 79432 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
Q9BQF6 BXGT020111 Sentrin-specific protease 7 reviewed Enzyme SENP7 IC50 '=' 7820 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 4466 nM
P43367 BXGT010382 Calpain-2 catalytic subunit reviewed - CAPN2 IC50 '=' 5000 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 12589 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 25929 nM
Q9GZR1 BXGT020423 Sentrin-specific protease 6 reviewed Enzyme SENP6 IC50 '=' 10000 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 35481 nM
P32245 BXGT009614 Melanocortin receptor 4 reviewed G-protein coupled receptor MC4R EC50 '>' 89202 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 2757 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 EC50 '>' 64584 nM
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 EC50 '>' 64584 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00303 Chia Salvia hispanica Herbs and Spices
BXGF00806 Alcoholic beverages Beverages
BXGF00998 Syncarpia hillii Syncarpia hillii Others
BXGF01255 Lemaireocereus griseus Lemaireocereus griseus Human Edible Plant
BXGF01455 Diospyros eriantha Diospyros eriantha Others
BXGF01491 Alkanna cappadocica Alkanna cappadocica Medicinal Plant
BXGF01524 Artemisia dentata Artemisia dentata Others
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
BXGF02663 Atalantia racemosa Atalantia racemosa Medicinal Plant
BXGF03342 Buddleja cordata Buddleja cordata 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
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