Showing entry for Zosimin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004132
Compound NameZosimin
Structure
FormulaC19H20O5
InchiKeyJRIBPWOXWIRQOQ-GHAIFCDISA-N
SMILESC\C=C(\C)C(=O)OC(C)(C)[C@H]1OC2=C(C1)C1=C(C=C2)C=CC(=O)O1
InchiInChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1
IUPAC2-[(8S)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate
Molecular Weight328.36
Pubchem Id6436246
Chembl IdCHEMBL1324067
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 n.a
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
CHEMBL CHEMBL1324067
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
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 73 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 31622 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Activity '=' 79 %
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 79432 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 112201 nM
P9WQ81 BXGT012494 Adenosylmethionine-8-amino-7-oxononanoate aminotransferase reviewed - bioA AC50 - 389 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 22387 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 14581 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 39810 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 22387 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 25118 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 79432 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 89125 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 50118 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 56234 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 5011 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF01442 Torilis japonica Torilis japonica Medicinal Plant
BXGF02030 Angelica decursiva Angelica decursiva Medicinal Plant
BXGF02065 Cnidium monnieri Cnidium monnieri Medicinal Plant
BXGF03435 Angelica pubescens Angelica pubescens Medicinal Plant
BXGF04995 Aralia continentalis Aralia continentalis Medicinal Plant
BXGF05891 Peucedanum palustre Peucedanum palustre Medicinal Plant
BXGF06128 Cnidium monieri Cnidium monieri 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