Showing entry for Osthol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001820
Compound NameOsthol
Structure
FormulaC15H16O3
InchiKeyMBRLOUHOWLUMFF-UHFFFAOYSA-N
SMILESCOC1=CC=C2C=CC(=O)OC2=C1CC=C(C)C
InchiInChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
IUPAC7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
Molecular Weight244.29
Pubchem Id10228
Chembl IdCHEMBL52229
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 A0O
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
Q08499 BXGT012988 cAMP-specific 3',5'-cyclic phosphodiesterase 4D reviewed PDE4D - - - - -
Binding DB 50240512
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 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 - 36200 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - >200000 - -
reviewed BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - >500000 - -
reviewed BXGT004119 Exportin-1 reviewed Receptor XPO1 - 1600 - -
reviewed BXGT006207 Glyceraldehyde-3-phosphate dehydrogenase reviewed Enzyme GAPDH - 208930 - -
CHEMBL CHEMBL52229
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
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 0 %
O14980 BXGT004119 Exportin-1 reviewed Receptor XPO1 IC50 '=' 1600 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '>' 500000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 34000 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '=' 39 %
P04406 BXGT006207 Glyceraldehyde-3-phosphate dehydrogenase reviewed Enzyme GAPDH IC50 '=' 208929 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 44668 nM
P03433 BXGT006070 Polymerase acidic protein reviewed - PA Inhibition '=' - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
O14980 BXGT004119 Exportin-1 reviewed Receptor XPO1 Inhibition - - -
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 36200 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 1778 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 50118 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 28183 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 63095 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '>' 200000 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 15848 nM
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 4 -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 227 %
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 44668 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 3 %
A0A0C5K5S3 BXGT000138 Fluoroquinolone resistance protein unreviewed - mdeA MIC '=' 256 ug.mL-1
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 121 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 81100 nM
A0A0C5K5S3 BXGT000138 Fluoroquinolone resistance protein unreviewed - mdeA FC '=' 0 -
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition '=' 60 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '=' 56 %
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 52500 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '=' 39 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 27 %
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA MIC '=' 2 ug.mL-1
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 34 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00054 Lemon Citrus limon Fruits
BXGF00055 Pummelo Citrus maxima Fruits
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00094 Common walnut Juglans regia Nuts
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF01226 Agrimonia eupatoria Agrimonia eupatoria Medicinal Plant
BXGF01442 Torilis japonica Torilis japonica Medicinal Plant
BXGF01551 Sauropus quadrangularis Sauropus quadrangularis Medicinal Plant
BXGF02065 Cnidium monnieri Cnidium monnieri Medicinal Plant
BXGF02106 Citrus medica Citrus medica Medicinal Plant
BXGF02182 Atractylodes lancea Atractylodes lancea Medicinal Plant
BXGF02237 Citrus wilsonii Citrus wilsonii Medicinal Plant
BXGF02579 Peucedanum rubricaule Peucedanum rubricaule Medicinal Plant
BXGF02604 Agrimonia pilosa Agrimonia pilosa Medicinal Plant
BXGF02640 Spilanthes ocymifolia Spilanthes ocymifolia Others
BXGF02659 Vernonia echitifolia Vernonia echitifolia Others
BXGF02778 Eucalyptus exserta Eucalyptus exserta Others
BXGF02809 Prangos pabularia Prangos pabularia Medicinal Plant
BXGF02850 Inga paterno Inga paterno Human Edible Plant
BXGF02942 Arnica foliosa Arnica foliosa Others
BXGF03043 Melicope semecarpifolia Melicope semecarpifolia Medicinal Plant
BXGF03435 Angelica pubescens Angelica pubescens Medicinal Plant
BXGF03671 Leonurus japonicus Leonurus japonicus Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF04382 Murraya paniculata Murraya paniculata Medicinal Plant
BXGF04814 Clausena anisata Clausena anisata Medicinal Plant
BXGF04995 Aralia continentalis Aralia continentalis Medicinal Plant
BXGF05044 murraya alata murraya alata Others
BXGF05497 Eupatorium fortunei turcz Eupatorium fortunei turcz Others
BXGF05540 Phegopteris subaurita Phegopteris subaurita Others
BXGF05590 Peucedanum ostruthium Peucedanum ostruthium Medicinal Plant
BXGF05603 Angelica archangelica Angelica archangelica Medicinal Plant
BXGF05687 Angelica officinalis Angelica officinalis Medicinal Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF06128 Cnidium monieri Cnidium monieri Others
BXGF06208 Rosa transmorrisonensis Rosa transmorrisonensis 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