Compounds > coumarin 153
Page last updated: 2024-11-06

coumarin 153

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Description

coumarin 153: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID72652
CHEMBL ID1431610
CHEBI ID51773
SCHEMBL ID194764
MeSH IDM0471828

Synonyms (56)

Synonym
smr000146186
8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo[de]anthracen-10-one
MLS000552671 ,
53518-18-6
c 6f
nsc338964
1h,11h-[1]benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)-
pilot 495
coumarin 153
nsc-338964
2,6,7-tetrahydro-9-(trifluoromethyl)-1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
9-(trifluoromethyl)-2,3,6,7-tetrahydro-1h,5h,11h-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
trifluoromethyl[?]one
coumarin 153, dye content 99 %
STK386370
1h,5h,11h-(1)benzopyrano(6,7,8-ij)quinolizin-11-one,2,3,6,7-tetrahydro-9-(trifluoromethyl)-
CHEBI:51773 ,
2,3,6,7-tetrahydro-9-(trifluoromethyl)-1h,5h,11h-(1)benzopyrano(6,7,8-ij)quinolizin-11-one
1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)-
AKOS000589103
NCGC00246435-01
HMS2304H16
einecs 258-600-5
1h,5h,11h-(1)benzopyrano(6,7,8-ij)quinolizin-11-one, 2,3,6,7-tetrahydro-9-(trifluoromethyl)-
nsc 338964
coumarin 540a
BBL027979
SCHEMBL194764
DTXSID0068864
mfcd00041843
CHEMBL1431610
cid_72652
bdbm50875
coumarin 495
coumarin 6f
c 153
9-(trifluoromethyl)-2,3,6,7-tetrahydro-1h,5h,11h-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one #
2,3,6,7-tetrahydro-9-(trifluoromethyl)-1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
C2858
2,3,6,7-tetrahydro-9-trifluoromethyl-1,5,11h-[1]-benzopyrano-(6,7,8-1j)-quinolizin-11-one
sr-01000389313
SR-01000389313-1
coumarin 153, bioreagent, suitable for fluorescence, >=99.0% (hplc)
coumarin-153
FT-0701571
VS-08637
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0(2),?.0(1)(3),(1)?]heptadeca-1(17),2(7),5,8-tetraen-4-one
Q27122740
coumarin 153 (purified by sublimation)
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
T71021
C3640
8-trifluoromethyll-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo[de]anthrecen-10-one
BC3BHZ527V
k-153
2,3,6,7-tetrahydro-9-(trifluoromethyl)-1h,5h,11h-[1]
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
fluorochromeA fluorescent dye used to stain biological specimens.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
7-aminocoumarinsAny member of the class of coumarins that contains a 7-amino-2H-chromen-2-one skeleton.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (34)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency12.58930.004023.8416100.0000AID485290
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency6.30960.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency7.94335.623417.292931.6228AID485281
acid sphingomyelinaseHomo sapiens (human)Potency15.848914.125424.061339.8107AID504937
USP1 protein, partialHomo sapiens (human)Potency39.81070.031637.5844354.8130AID743255
Smad3Homo sapiens (human)Potency3.98110.00527.809829.0929AID588855
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency12.58930.707912.194339.8107AID720542
67.9K proteinVaccinia virusPotency10.00000.00018.4406100.0000AID720580
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency3.98110.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency3.54810.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency17.78280.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency0.02910.00419.984825.9290AID504444
huntingtin isoform 2Homo sapiens (human)Potency3.54810.000618.41981,122.0200AID1688
importin subunit beta-1 isoform 1Homo sapiens (human)Potency7.07955.804836.130665.1308AID540253
ubiquitin carboxyl-terminal hydrolase 2 isoform aHomo sapiens (human)Potency3.98110.65619.452025.1189AID463254
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency1.19170.168316.404067.0158AID720504
eyes absent homolog 2 isoform aHomo sapiens (human)Potency12.58931.199814.641950.1187AID488837
snurportin-1Homo sapiens (human)Potency7.07955.804836.130665.1308AID540253
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency3.54810.010323.856763.0957AID2662
tumor susceptibility gene 101 proteinHomo sapiens (human)Potency4.78160.129810.833132.6090AID493005; AID651600
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency7.07955.804816.996225.9290AID540253
gemininHomo sapiens (human)Potency7.74800.004611.374133.4983AID624296; AID624297
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency4.46680.025911.239831.6228AID602313
Rap guanine nucleotide exchange factor 3Homo sapiens (human)Potency37.61886.309660.2008112.2020AID720707; AID720709
Glycoprotein hormones alpha chainHomo sapiens (human)Potency28.18384.46688.344810.0000AID624291
Guanine nucleotide-binding protein GHomo sapiens (human)Potency10.00001.995325.532750.1187AID624287
Rap guanine nucleotide exchange factor 4Homo sapiens (human)Potency44.66843.981146.7448112.2020AID720711
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
metallo beta-lactamasePseudomonas aeruginosaIC50 (µMol)22.06500.03392.91006.2480AID2754
metallo-beta-lactamase IMP-1Pseudomonas aeruginosaIC50 (µMol)78.21103.24105.96858.6960AID2756
G-protein coupled receptor 35 isoform aHomo sapiens (human)IC50 (µMol)1.37070.16002.30197.6600AID2058
B1 bradykinin receptorHomo sapiens (human)IC50 (µMol)78.21100.00091.62093.2410AID2756
BZLF2Human herpesvirus 4 type 2 (Epstein-Barr virus type 2)IC50 (µMol)0.42000.42004.434216.2300AID1419
Beta lactamase (plasmid)Pseudomonas aeruginosaIC50 (µMol)5.57200.70915.05497.7510AID2755
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)AC502.80001.67009.266943.4100AID588683
kelch-like ECH-associated protein 1Homo sapiens (human)AC502.80001.67009.266943.4100AID588683
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (53)

Processvia Protein(s)Taxonomy
angiogenesisRap guanine nucleotide exchange factor 3Homo sapiens (human)
adaptive immune responseRap guanine nucleotide exchange factor 3Homo sapiens (human)
signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 3Homo sapiens (human)
associative learningRap guanine nucleotide exchange factor 3Homo sapiens (human)
Rap protein signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of actin cytoskeleton organizationRap guanine nucleotide exchange factor 3Homo sapiens (human)
negative regulation of syncytium formation by plasma membrane fusionRap guanine nucleotide exchange factor 3Homo sapiens (human)
intracellular signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of GTPase activityRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of angiogenesisRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of angiogenesisRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of protein export from nucleusRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of stress fiber assemblyRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of phosphatidylinositol 3-kinase/protein kinase B signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of syncytium formation by plasma membrane fusionRap guanine nucleotide exchange factor 3Homo sapiens (human)
establishment of endothelial barrierRap guanine nucleotide exchange factor 3Homo sapiens (human)
cellular response to cAMPRap guanine nucleotide exchange factor 3Homo sapiens (human)
Ras protein signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of insulin secretionRap guanine nucleotide exchange factor 3Homo sapiens (human)
G protein-coupled receptor signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell population proliferationGlycoprotein hormones alpha chainHomo sapiens (human)
hormone-mediated signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
regulation of signaling receptor activityGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of steroid biosynthetic processGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell migrationGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid gland developmentGlycoprotein hormones alpha chainHomo sapiens (human)
luteinizing hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIGlycoprotein hormones alpha chainHomo sapiens (human)
negative regulation of organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid hormone generationGlycoprotein hormones alpha chainHomo sapiens (human)
negative regulation of protein phosphorylationB1 bradykinin receptorHomo sapiens (human)
positive regulation of leukocyte migrationB1 bradykinin receptorHomo sapiens (human)
inflammatory responseB1 bradykinin receptorHomo sapiens (human)
positive regulation of cytosolic calcium ion concentrationB1 bradykinin receptorHomo sapiens (human)
protein kinase C-activating G protein-coupled receptor signaling pathwayB1 bradykinin receptorHomo sapiens (human)
response to mechanical stimulusB1 bradykinin receptorHomo sapiens (human)
cell migrationB1 bradykinin receptorHomo sapiens (human)
negative regulation of cell growthB1 bradykinin receptorHomo sapiens (human)
response to lipopolysaccharideB1 bradykinin receptorHomo sapiens (human)
negative regulation of blood pressureB1 bradykinin receptorHomo sapiens (human)
positive regulation of release of sequestered calcium ion into cytosolB1 bradykinin receptorHomo sapiens (human)
G protein-coupled receptor signaling pathwayB1 bradykinin receptorHomo sapiens (human)
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
adaptive immune responseRap guanine nucleotide exchange factor 4Homo sapiens (human)
G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 4Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 4Homo sapiens (human)
calcium-ion regulated exocytosisRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of exocytosisRap guanine nucleotide exchange factor 4Homo sapiens (human)
insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
positive regulation of insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of synaptic vesicle cycleRap guanine nucleotide exchange factor 4Homo sapiens (human)
Ras protein signal transductionRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (12)

Processvia Protein(s)Taxonomy
guanyl-nucleotide exchange factor activityRap guanine nucleotide exchange factor 3Homo sapiens (human)
protein bindingRap guanine nucleotide exchange factor 3Homo sapiens (human)
protein domain specific bindingRap guanine nucleotide exchange factor 3Homo sapiens (human)
cAMP bindingRap guanine nucleotide exchange factor 3Homo sapiens (human)
hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
protein bindingGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
bradykinin receptor activityB1 bradykinin receptorHomo sapiens (human)
protein bindingB1 bradykinin receptorHomo sapiens (human)
peptide bindingB1 bradykinin receptorHomo sapiens (human)
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
guanyl-nucleotide exchange factor activityRap guanine nucleotide exchange factor 4Homo sapiens (human)
protein bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
cAMP bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
protein-macromolecule adaptor activityRap guanine nucleotide exchange factor 4Homo sapiens (human)
small GTPase bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (16)

Processvia Protein(s)Taxonomy
plasma membraneRap guanine nucleotide exchange factor 3Homo sapiens (human)
cortical actin cytoskeletonRap guanine nucleotide exchange factor 3Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 3Homo sapiens (human)
microvillusRap guanine nucleotide exchange factor 3Homo sapiens (human)
endomembrane systemRap guanine nucleotide exchange factor 3Homo sapiens (human)
membraneRap guanine nucleotide exchange factor 3Homo sapiens (human)
lamellipodiumRap guanine nucleotide exchange factor 3Homo sapiens (human)
filopodiumRap guanine nucleotide exchange factor 3Homo sapiens (human)
extracellular exosomeRap guanine nucleotide exchange factor 3Homo sapiens (human)
extracellular regionGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
Golgi lumenGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone complexGlycoprotein hormones alpha chainHomo sapiens (human)
pituitary gonadotropin complexGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
endoplasmic reticulumB1 bradykinin receptorHomo sapiens (human)
plasma membraneB1 bradykinin receptorHomo sapiens (human)
plasma membraneB1 bradykinin receptorHomo sapiens (human)
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
cytosolRap guanine nucleotide exchange factor 4Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
hippocampal mossy fiber to CA3 synapseRap guanine nucleotide exchange factor 4Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (16)

Assay IDTitleYearJournalArticle
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1192875Induction of ABCA1 mRNA expression in human HepG2 cells at 5 uM relative to control2015Bioorganic & medicinal chemistry letters, Mar-15, Volume: 25, Issue:6
Design and discovery of 2-oxochromene derivatives as liver X receptor β-selective agonists.
AID1192876Induction of SREBP-1c mRNA expression in human HepG2 cells at 5 uM relative to control2015Bioorganic & medicinal chemistry letters, Mar-15, Volume: 25, Issue:6
Design and discovery of 2-oxochromene derivatives as liver X receptor β-selective agonists.
AID1192877Ratio of induction of ABCA1 mRNA expression to SREBP-1c mRNA expression in human HepG2 cells at 5 uM2015Bioorganic & medicinal chemistry letters, Mar-15, Volume: 25, Issue:6
Design and discovery of 2-oxochromene derivatives as liver X receptor β-selective agonists.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (52)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's14 (26.92)29.6817
2010's37 (71.15)24.3611
2020's1 (1.92)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 34.41

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index34.41 (24.57)
Research Supply Index3.99 (2.92)
Research Growth Index4.73 (4.65)
Search Engine Demand Index43.69 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (34.41)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other53 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).		2.0410ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy		2.0310aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.		2.0710imidazole
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.		7.4620alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
nitrates
Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.		2.0710monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
hydroxide ion
[no description available]		2.1110oxygen hydridemouse metabolite
guanidine
Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.		2.4720carboxamidine;
guanidines;
one-carbon compound
protoporphyrin ix
protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins.		2.1510
acetonitrile
acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.		2.7430aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
uvitex swn
Uvitex SWN: optical brightner from Ciba; structure		2.17107-aminocoumarinsfluorochrome
rhodamine 6g
rhodamine 6G: RN given refers to HCl		2.9940
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.		2.0710copper group element atom;
elemental gold
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.		2.0610dihydrogen
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.		2.07101,2,3-triazole
coproporphyrin i
coproporphyrin I: RN given refers to cpd with specified locants; see also record for coproporphyrin III; zinc coproporphyrin I is fluorescent and a characteristic component of meconium		2.1510
4-aminophthalimide
4-aminophthalimide: structure in first source		2.0710
coumarin 480
coumarin 480: structure in first source		2.81307-aminocoumarinsfluorochrome
7-amino-4-trifluoromethylcoumarin
coumarin 151: structure in first source		2.03107-aminocoumarinsfluorochrome
1-methyl-3-ethylimidazolium
1-methyl-3-ethylimidazolium: structure given in first source. 1-ethyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is ethyl.		2.07101-alkyl-3-methylimidazolium
1,2-dilauroylphosphatidylcholine
1,2-dilauroylphosphatidylcholine: RN given refers to cpd without isomeric designation. 1,2-dilauroyl-sn-glycero-3-phosphocholine(1+) : A A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) that is the dilauroyl diester of phosphatidiylcholine.		2.07101,2-diacyl-sn-glycero-3-phosphocholine(1+)
gw 3965
GW 3965: a liver X receptor ligand		2.1110diarylmethane
t0901317
T0901317: an LXRalpha and LXRbeta agonist		2.1110
1-butyl-3-methylimidazolium tetrafluoroborate
[no description available]		2.7530
alpha-chymotrypsin
Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.		2.1710
calcitriol
dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes		2.1110D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
4-heptadecylumbelliferone
4-heptadecylumbelliferone: fluorescence pH indicator		2.0510
thiosuccinic acid
thiosuccinic acid: inhibits fibrinolysin		2.0810
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.		2.07101,2-diacyl-sn-glycero-3-phosphocholine
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.		5.22460benzenes;
hydroxycoumarin;
methyl ketone
ConditionIndicatedRelationship StrengthStudiesTrials
Innate Inflammatory Response
[description not available]		02.0510
Inflammation
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.		02.0510
Electrolytes
Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)		02.0310
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		02.4420