Showing entry for Diphyllin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029291
Compound NameDiphyllin
Structure
FormulaC21H16O7
InchiKeyVMEJANRODATDOF-UHFFFAOYSA-N
SMILESCOc1cc2c(c3ccc4c(c3)OCO4)c3C(=O)OCc3c(c2cc1OC)O
InchiInChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3
IUPAC9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Molecular Weight380.09
Pubchem Id100492
Chembl IdCHEMBL221190
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 64979
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 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - - - 4421
reviewed BXGT006681 Orotidine 5'-phosphate decarboxylase reviewed pyrG - - - >59660
reviewed BXGT010897 Nuclear receptor subfamily 0 group B member 1 reviewed Nuclear receptor NR0B1 - >67554 - -
reviewed BXGT013335 Steroidogenic factor 1 reviewed Nuclear receptor NR5A1 - >67554 - -
CHEMBL CHEMBL221190
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
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 12589 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 631 nM
P11388 BXGT007697 DNA topoisomerase 2-alpha reviewed - TOP2A Inhibition - - -
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 10000 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 5011 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 35481 nM
C4YTQ8 BXGT002500 ATP-dependent molecular chaperone HSP82 unreviewed - CAWG_05553 EC50 '=' 2212 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 3981 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 31622 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 25118 nM
P13423 BXGT007907 Protective antigen reviewed - pagA Activity - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 9200 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 20 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 39810 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 50 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 11220 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 2238 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 2511 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29092 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 12589 nM
P06492 BXGT006444 Tegument protein VP16 reviewed - UL48 IC50 - 2300 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 39810 nM
Q9Y5X4 BXGT022306 Photoreceptor-specific nuclear receptor reviewed Nuclear receptor NR2E3 IC50 - 962 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 8912 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 7943 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
P51843 BXGT010897 Nuclear receptor subfamily 0 group B member 1 reviewed Nuclear receptor NR0B1 IC50 '>' 67554 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3264 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 14125 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 25118 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 25118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29092 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 501 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 10000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 32885 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1835 nM
P00749 BXGT005641 Urokinase-type plasminogen activator reviewed Enzyme PLAU Potency - 736 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00016 Peanut Arachis hypogaea Nuts
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF01657 Swertia paniculata Swertia paniculata Medicinal Plant
BXGF01701 Polygala amarella Polygala amarella Medicinal Plant
BXGF02173 Justicia procumbens Justicia procumbens Medicinal Plant
BXGF02561 Dysosma versipellis Dysosma versipellis Medicinal Plant
BXGF02611 Geranium nepalense Geranium nepalense Medicinal Plant
BXGF02842 Euphorbia franckiana Euphorbia franckiana Others
BXGF02998 Uncaria gambier Uncaria gambier Medicinal Plant
BXGF03471 Kippistia suaedifolia Kippistia suaedifolia Others
BXGF03635 Hertia intermedia Hertia intermedia Others
BXGF03718 Swertia angustifolia Swertia angustifolia Medicinal Plant
BXGF03767 Pelargonium reniforme Pelargonium reniforme Medicinal Plant
BXGF03824 Haplopappus ciliatus Haplopappus ciliatus Others
BXGF04324 Diphylleia sinensis Diphylleia sinensis Medicinal Plant
BXGF05292 Croton nitens Croton nitens Others
BXGF05417 Diphylleia grayi Diphylleia grayi Medicinal Plant
BXGF05937 Diphasiastrum alpinum Diphasiastrum alpinum Others
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