Showing entry for Osajin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0026480
Compound NameOsajin
Structure
FormulaC25H24O5
InchiKeyDCTLJGWMHPGCOS-UHFFFAOYSA-N
SMILESCC(=CCc1c2OC(C)(C)C=Cc2c2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C
InchiInChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
IUPAC5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Molecular Weight404.16
Pubchem Id95168
Chembl IdCHEMBL238188
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 50442397
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 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 23600 - -
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 29900 - - -
reviewed BXGT007573 Sialidase reviewed nanH 3210 - - -
reviewed BXGT007573 Sialidase reviewed nanH - 3060 - -
CHEMBL CHEMBL238188
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
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 15848 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 31622 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 23600 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 25118 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 19952 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 22387 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 7943 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 25118 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 15848 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7079 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 10000 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 10000 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 25118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3162 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 15848 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 28183 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 IC50 '=' 6530 nM
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 IC50 '=' 6530 nM
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 IC50 '=' 6530 nM
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 IC50 '=' 6530 nM
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 IC50 '=' 6530 nM
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 IC50 '=' 6530 nM
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 IC50 '=' 6530 nM
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 IC50 '=' 6530 nM
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 IC50 '=' 6530 nM
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 IC50 '=' 6530 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 IC50 '=' 6530 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 28183 nM
P10481 BXGT007573 Sialidase reviewed - nanH Inhibition - - -
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 15848 nM
P10481 BXGT007573 Sialidase reviewed - nanH IC50 '=' 3060 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 50118 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 10000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
O00167 BXGT003887 Eyes absent homolog 2 reviewed - EYA2 Potency - 100000 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 12589 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 28183 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 12589 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 1995 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 88 %
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 10000 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 56234 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 25118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 19952 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 25118 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 28183 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 11220 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 22387 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 70794 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 28183 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 44668 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 112 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 31622 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 876 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35481 nM
P10481 BXGT007573 Sialidase reviewed - nanH Ki '=' 3210 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 11220 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 50118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 18356 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 28183 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 17782 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Ki '=' 29900 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03840 Rosa roxburghii Rosa roxburghii Medicinal Plant
BXGF04112 Euphorbia micractina Euphorbia micractina Others
BXGF04435 Derris scandens Derris scandens Medicinal Plant
BXGF05202 Flemingia philippinensis Flemingia philippinensis 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