Showing entry for Graveoline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005428
Compound NameGraveoline
Structure
FormulaC17H13NO3
InchiKeyCOBBNRKBTCBWQP-UHFFFAOYSA-N
SMILESCN1C2=CC=CC=C2C(=O)C=C1C1=CC2=C(OCO2)C=C1
InchiInChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
IUPAC2-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydroquinolin-4-one
Molecular Weight279.29
Pubchem Id353825
Chembl IdCHEMBL1371756
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 CHEMBL1371756
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
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 100000 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 12589 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 7943 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 3548 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 10000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 15848 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 1995 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 3162 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 1584 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 11220 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 12589 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 11220 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 10000 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 9 %
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 3162 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 31 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 1584 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 5011 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 1995 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00818 Herbs and Spices Herbs and Spices
BXGF02978 Tetradium ruticarpum Tetradium ruticarpum Medicinal Plant
BXGF05165 Ruta graveolens Ruta graveolens 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