Showing entry for Anisocoumarin H


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029807
Compound NameAnisocoumarin H
Structure
FormulaC19H22O4
InchiKeyVNADFOGBKXRWGC-RIYZIHGNSA-N
SMILESC/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CC(C=C(C)C)O
InchiInChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8+
IUPAC7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
Molecular Weight314.15
Pubchem Id14376449
Chembl IdCHEMBL408980
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 50375220
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 BXGT009618 Delta-type opioid receptor reviewed Oprd1 >10000 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 2600 - - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 >10000 - - -
reviewed BXGT008440 D(1A) dopamine receptor reviewed Drd1 >10000 - - -
CHEMBL CHEMBL408980
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
P32300 BXGT009618 Delta-type opioid receptor reviewed - Oprd1 Ki '>' 10000 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Activity '>' 50 %
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Ki '>' 10000 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki '=' 2600 nM
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 Ki '>' 10000 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P32300 BXGT009618 Delta-type opioid receptor reviewed - Oprd1 Activity '>' 50 %
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 10322 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 9200 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 70794 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 70794 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 28183 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 37933 nM
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 4645 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 79432 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 28183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 7307 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 39810 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 19952 nM
P33535 BXGT009731 Mu-type opioid receptor reviewed - Oprm1 Activity '>' 50 %
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 31622 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 12589 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 23109 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana 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