Compounds > 6-methylcoumarin
Page last updated: 2024-09-21

6-methylcoumarin

Description

6-methylcoumarin: synthetic fragrance causing contact photoallergy [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. [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]

Cross-References

ID SourceID
PubMed CID7092
CHEMBL ID443436
CHEBI ID563586
SCHEMBL ID194842
MeSH IDM0069325

Synonyms (83)

Synonym
AC-18483
6-methylcoumarinic anhydride
wln: t66 bovj h1
nci-c55812
6-methyl-1,2-benzopyrone
nsc5870
6-mc
92-48-8
nsc-5870
coumarin, 6-methyl-
6-methylbenzopyrone
6-methylcoumarin
2h-1-benzopyran-2-one, 6-methyl-
toncarine
6-methyl-2h-chromen-2-one
6-methylchromen-2-one
6-methyl-1, 2-benzopyrone
methyl coumarin
NCGC00091636-01
nsc 5870
brn 0004222
ai3-02442
6-methyl-2h-1-benzopyran-2-one
5-methyl-2-hydroxyphenylpropenoic acid lactone
toncair
cocodescol
hsdb 4360
fema no. 2699
einecs 202-158-8
6-methyl-cis-o-coumarinic lactone
pralina
ccris 3593
6-methylcoumarin, >=99%
6-methylcoumarin, >=99%, fcc, fg
NCGC00091636-02
6-methyl coumarin
HMS1668G09
CHEMBL443436
CHEBI:563586 ,
smr001307316
MLS002303008
6-methylcumarin
M0189
NCGC00091636-03
6-methyl-chromen-2-one
HMS3039J14
cas-92-48-8
dtxcid105588
tox21_303180
NCGC00257165-01
dtxsid9025588 ,
tox21_201810
NCGC00259359-01
unii-ehp8w0l01a
ehp8w0l01a ,
5-17-10-00168 (beilstein handbook reference)
FT-0621231
AM20050501
EPITOPE ID:140130
AKOS015899609
S4802
SCHEMBL194842
methyl coumarin [hsdb]
6-methyl coumarin [inci]
6-methylcoumarin [fcc]
methylcoumarin, 6-
6-methylcoumarin [fhfi]
6-methyl-coumarin
3av ,
6-methyl-2h-chromen-2-one #
W-100287
6-methylcoumarin;
6-methylcoumarin, analytical standard
mfcd00006875
SY012943
F0001-2225
HY-N1406
CS-0016827
Q245490
AS-12437
CCG-266280
AC7838
6-methylcoumarin 100 microg/ml in acetonitrile

Roles (2)

RoleDescription
fragranceA substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
allergenA chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
[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
coumarins
[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 (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
AR proteinHomo sapiens (human)Potency16.21210.000221.22318,912.5098AID1259243; AID1259247; AID743042; AID743054
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency36.41880.001022.650876.6163AID1224838; AID1224839; AID1224893
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency0.70790.000214.376460.0339AID588532
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency9.09260.003041.611522,387.1992AID1159552; AID1159553; AID1159555
farnesoid X nuclear receptorHomo sapiens (human)Potency31.42680.375827.485161.6524AID588526; AID743220
pregnane X nuclear receptorHomo sapiens (human)Potency31.54360.005428.02631,258.9301AID1346982
estrogen nuclear receptor alphaHomo sapiens (human)Potency10.37290.000229.305416,493.5996AID743080; AID743091
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency0.00170.023723.228263.5986AID743223
IDH1Homo sapiens (human)Potency0.92000.005210.865235.4813AID686970
aryl hydrocarbon receptorHomo sapiens (human)Potency7.06170.000723.06741,258.9301AID743085
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency31.54360.001723.839378.1014AID743083
chromobox protein homolog 1Homo sapiens (human)Potency79.43280.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency19.97860.000627.21521,122.0200AID651741; AID720636; AID743202
gemininHomo sapiens (human)Potency29.09290.004611.374133.4983AID624296
Rap guanine nucleotide exchange factor 3Homo sapiens (human)Potency50.11876.309660.2008112.2020AID720707
Nuclear receptor ROR-gammaHomo sapiens (human)Potency42.16320.026622.448266.8242AID651802
TAR DNA-binding protein 43Homo sapiens (human)Potency22.38721.778316.208135.4813AID652104
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (51)

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)
negative regulation of transcription by RNA polymerase IINuclear receptor ROR-gammaHomo sapiens (human)
xenobiotic metabolic processNuclear receptor ROR-gammaHomo sapiens (human)
regulation of glucose metabolic processNuclear receptor ROR-gammaHomo sapiens (human)
regulation of steroid metabolic processNuclear receptor ROR-gammaHomo sapiens (human)
intracellular receptor signaling pathwayNuclear receptor ROR-gammaHomo sapiens (human)
circadian regulation of gene expressionNuclear receptor ROR-gammaHomo sapiens (human)
cellular response to sterolNuclear receptor ROR-gammaHomo sapiens (human)
positive regulation of circadian rhythmNuclear receptor ROR-gammaHomo sapiens (human)
regulation of fat cell differentiationNuclear receptor ROR-gammaHomo sapiens (human)
positive regulation of DNA-templated transcriptionNuclear receptor ROR-gammaHomo sapiens (human)
adipose tissue developmentNuclear receptor ROR-gammaHomo sapiens (human)
T-helper 17 cell differentiationNuclear receptor ROR-gammaHomo sapiens (human)
regulation of transcription by RNA polymerase IINuclear receptor ROR-gammaHomo sapiens (human)
negative regulation of protein phosphorylationTAR DNA-binding protein 43Homo sapiens (human)
mRNA processingTAR DNA-binding protein 43Homo sapiens (human)
RNA splicingTAR DNA-binding protein 43Homo sapiens (human)
negative regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
regulation of protein stabilityTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of insulin secretionTAR DNA-binding protein 43Homo sapiens (human)
response to endoplasmic reticulum stressTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of protein import into nucleusTAR DNA-binding protein 43Homo sapiens (human)
regulation of circadian rhythmTAR DNA-binding protein 43Homo sapiens (human)
regulation of apoptotic processTAR DNA-binding protein 43Homo sapiens (human)
negative regulation by host of viral transcriptionTAR DNA-binding protein 43Homo sapiens (human)
rhythmic processTAR DNA-binding protein 43Homo sapiens (human)
regulation of cell cycleTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA destabilizationTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA stabilizationTAR DNA-binding protein 43Homo sapiens (human)
nuclear inner membrane organizationTAR DNA-binding protein 43Homo sapiens (human)
amyloid fibril formationTAR DNA-binding protein 43Homo sapiens (human)
regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (21)

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)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingNuclear receptor ROR-gammaHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificNuclear receptor ROR-gammaHomo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificNuclear receptor ROR-gammaHomo sapiens (human)
DNA-binding transcription factor activityNuclear receptor ROR-gammaHomo sapiens (human)
protein bindingNuclear receptor ROR-gammaHomo sapiens (human)
oxysterol bindingNuclear receptor ROR-gammaHomo sapiens (human)
zinc ion bindingNuclear receptor ROR-gammaHomo sapiens (human)
ligand-activated transcription factor activityNuclear receptor ROR-gammaHomo sapiens (human)
sequence-specific double-stranded DNA bindingNuclear receptor ROR-gammaHomo sapiens (human)
nuclear receptor activityNuclear receptor ROR-gammaHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
double-stranded DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
RNA bindingTAR DNA-binding protein 43Homo sapiens (human)
mRNA 3'-UTR bindingTAR DNA-binding protein 43Homo sapiens (human)
protein bindingTAR DNA-binding protein 43Homo sapiens (human)
lipid bindingTAR DNA-binding protein 43Homo sapiens (human)
identical protein bindingTAR DNA-binding protein 43Homo sapiens (human)
pre-mRNA intronic bindingTAR DNA-binding protein 43Homo sapiens (human)
molecular condensate scaffold activityTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (18)

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)
nucleusNuclear receptor ROR-gammaHomo sapiens (human)
nucleoplasmNuclear receptor ROR-gammaHomo sapiens (human)
nuclear bodyNuclear receptor ROR-gammaHomo sapiens (human)
chromatinNuclear receptor ROR-gammaHomo sapiens (human)
nucleusNuclear receptor ROR-gammaHomo sapiens (human)
intracellular non-membrane-bounded organelleTAR DNA-binding protein 43Homo sapiens (human)
nucleusTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
perichromatin fibrilsTAR DNA-binding protein 43Homo sapiens (human)
mitochondrionTAR DNA-binding protein 43Homo sapiens (human)
cytoplasmic stress granuleTAR DNA-binding protein 43Homo sapiens (human)
nuclear speckTAR DNA-binding protein 43Homo sapiens (human)
interchromatin granuleTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
chromatinTAR DNA-binding protein 43Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID355880Pesticidal activity against Dermatophagoides pteronyssinus after 24 hrs2003Journal of natural products, May, Volume: 66, Issue:5
Acaricidal activity of tonka bean extracts. Synthesis and structure-activity relationships of bioactive derivatives.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (47)

TimeframeStudies, This Drug (%)All Drugs %
pre-199010 (21.28)18.7374
1990's5 (10.64)18.2507
2000's10 (21.28)29.6817
2010's15 (31.91)24.3611
2020's7 (14.89)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (4.00%)6.00%
Case Studies3 (6.00%)4.05%
Observational0 (0.00%)0.25%
Other45 (90.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
coumarin[no description available]medium20coumarinsfluorescent dye;
human metabolite;
plant metabolite
benzyl benzoate[no description available]medium10benzoate ester;
benzyl ester		acaricide;
plant metabolite;
scabicide
benzylparaben[no description available]medium10benzoate ester;
benzyl ester
benzyl salicylate[no description available]medium10benzoate ester;
phenols
flavanone[no description available]medium10flavanones
4-chromone[no description available]medium10chromones;
enone
flavone[no description available]medium10flavonesmetabolite;
nematicide
4-chromanone[no description available]medium10chromones
benzyl cinnamate[no description available]medium10cinnamate esterantigen;
epitope;
fixative;
flavouring agent;
fragrance
7-hydroxycoumarin[no description available]medium10hydroxycoumarinfluorescent probe;
food component;
plant metabolite
4-hydroxycoumarin[no description available]medium10hydroxycoumarin
warfarin[no description available]medium420benzenes;
hydroxycoumarin;
methyl ketone
camphor, (+-)-isomer[no description available]medium10bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite
enzacamene[no description available]medium10
methyl n-methylanthranilate[no description available]medium10benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline		animal metabolite;
fungal metabolite;
plant metabolite
sulisobenzone[no description available]medium10benzophenones
3,4-dihydrocoumarin[no description available]medium10chromanoneplant metabolite
benzoic acid[no description available]medium10benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
e-z cinnamic acid[no description available]medium10cinnamic acidplant metabolite
dinitrochlorobenzene[no description available]medium10C-nitro compound;
monochlorobenzenes		allergen;
epitope;
sensitiser
5-chloro-2-methyl-4-isothiazolin-3-one[no description available]medium101,2-thiazoles;
organochlorine compound		antimicrobial agent;
environmental contaminant;
xenobiotic
acrolein[no description available]medium20enalherbicide;
human xenobiotic metabolite;
toxin
cinnamaldehyde[no description available]medium203-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
thiazoles[no description available]medium101,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
7-methylcoumarin[no description available]medium10coumarins
4-bromomethyl-7-methoxycoumarin[no description available]medium10
acridines[no description available]medium20acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
cucurbit(8)uril[no description available]medium20
methoxsalen[no description available]medium40aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
bithionol[no description available]medium20aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
3,3',4',5-tetrachlorosalicylanilide[no description available]medium40dichlorobenzene;
salicylanilides		drug allergen
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
chlorpromazine[no description available]medium30organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
sparfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
enoxacin[no description available]medium101,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
tetracycline[no description available]medium10
musk ambrette (artificial)[no description available]medium70C-nitro compound
tribromsalan[no description available]medium10salicylanilides
dinitrobenzenes[no description available]medium70
versalide[no description available]medium20
singlet oxygen[no description available]medium10chalcogen;
monoatomic oxygen;
nonmetal atom		macronutrient
furfuryl alcohol[no description available]medium10furans;
primary alcohol		Maillard reaction product
deuterium oxide[no description available]medium10deuterated compound;
water		NMR solvent
oxybenzone[no description available]medium10hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
dodecyl sulfate[no description available]medium10alkyl sulfate
sodium dodecyl sulfate[no description available]medium10organic sodium saltdetergent;
protein denaturant
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
histidine[no description available]medium10amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
penicillin g[no description available]medium10penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
5-methoxypsoralen[no description available]medium105-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite
neutral red[no description available]medium10hydrochlorideacid-base indicator;
dye;
two-colour indicator
2,3,4,6-tetrachlorophenol[no description available]medium10tetrachlorophenolxenobiotic metabolite
anthracene[no description available]medium10acene;
anthracenes;
ortho-fused tricyclic hydrocarbon
fentichlor[no description available]medium10aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol		antiinfective agent;
drug allergen
hydroxycitronellal[no description available]medium10tertiary alcoholallergen;
fragrance
isoeugenol[no description available]medium10isoeugenolplant metabolite
1-propanol[no description available]medium10propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
cinnamyl alcohol[no description available]medium10cinnamyl alcoholplant metabolite
benzaldehyde[no description available]low00benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzyl alcohol[no description available]low00benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
cuminol[no description available]low00benzyl alcohols;
p-menthane monoterpenoid		fragrance;
insect repellent;
plant metabolite;
volatile oil component;
xenobiotic metabolite
phenylethyl alcohol[no description available]low00benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
linalool[no description available]low00monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
methyl acetate[no description available]low00acetate ester;
methyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent
camphene[no description available]low00carbobicyclic compound;
monoterpene		fragrance;
plant metabolite
ethyl benzoate[no description available]low00benzoate ester;
ethyl ester		flavouring agent;
fragrance;
volatile oil component
2-methylvaleric acid[no description available]low00branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite
propyl acetate[no description available]low00acetate esterfragrance;
plant metabolite
1-hexanol[no description available]low00hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
heptanol[no description available]low00heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
decanaldehyde[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		antifungal agent;
fragrance;
plant metabolite
3-hydroxy-3-methylbutene[no description available]low00olefinic compound;
tertiary alcohol		animal metabolite;
fragrance;
pheromone;
plant metabolite
piperonal[no description available]low00arenecarbaldehyde;
benzodioxoles		fragrance;
insect repellent;
plant metabolite
4-methylbenzyl alcohol[no description available]low00methylbenzyl alcoholfragrance;
xenobiotic metabolite
2-ethylfuran[no description available]low00furans;
volatile organic compound		bacterial metabolite;
fragrance;
Maillard reaction product;
plant metabolite
furaneol[no description available]low00cyclic ketone;
enol;
furans		flavouring agent;
fragrance;
plant metabolite
raspberry ketone[no description available]low00methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite
zingerone[no description available]low00methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
myrcene[no description available]low00monoterpeneanabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component
methyl tetradecanoate[no description available]low00fatty acid methyl esterflavouring agent;
fragrance;
plant metabolite
musk xylene[no description available]low00C-nitro compoundcarcinogenic agent;
explosive;
fragrance
perillene[no description available]low00furans;
monoterpenoid		fragrance;
metabolite;
semiochemical
3,5-dimethoxytoluene[no description available]low00methoxybenzenes;
toluenes		fragrance;
plant metabolite
galaxolide[no description available]low00isochromenes;
organic heterotricyclic compound		fragrance
2-pinene oxide[no description available]low00epoxide;
pinane monoterpenoid		bacterial xenobiotic metabolite;
fragrance;
human metabolite
elemol[no description available]low00olefinic compound;
sesquiterpenoid;
tertiary alcohol		fragrance;
plant metabolite
sclareol[no description available]low00labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
geraniol[no description available]low003,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
benzylideneacetone[no description available]low00benzylideneacetonebacterial metabolite;
EC 3.1.1.4 (phospholipase A2) inhibitor;
flavouring agent;
fragrance
beta-ionone[no description available]low00iononeantioxidant;
fragrance
nerol[no description available]low003,7-dimethylocta-2,6-dien-1-olfragrance;
plant metabolite;
volatile oil component
nootkatone[no description available]low00carbobicyclic compound;
enone;
sesquiterpenoid		fragrance;
insect repellent;
plant metabolite
geranylacetone[no description available]low00monoterpene ketoneflavouring agent;
fragrance;
plant metabolite;
volatile oil component
caryophyllene[no description available]low00beta-caryophyllenefragrance;
insect attractant;
metabolite;
non-steroidal anti-inflammatory drug
civetone[no description available]low00cyclic ketone;
macrocycle		animal metabolite;
fragrance;
pheromone
beta-damascenone[no description available]low00apo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone		fragrance;
plant metabolite;
volatile oil component
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone[no description available]low00enoneallergen;
fragrance
choline[no description available]low00cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
4-aminophenol[no description available]low00aminophenolallergen;
metabolite
formaldehyde[no description available]low00aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phenylacetic acid[no description available]low00benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
phosphorylcholine[no description available]low00phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite
propylene glycol[no description available]low00glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
uracil[no description available]low00pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
2,4-dinitrophenol[no description available]low00dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
benzocaine[no description available]low00benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
carbamazepine epoxide[no description available]low00dibenzoazepine;
epoxide;
ureas		allergen;
drug metabolite;
marine xenobiotic metabolite
n-methyl-4-aminophenol[no description available]low00phenolsallergen
barbituric acid[no description available]low00barbituratesallergen;
xenobiotic
mannitol[no description available]low00mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
dinitrofluorobenzene[no description available]low00C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent
ethylene oxide[no description available]low00gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
methylmethacrylate[no description available]low00enoate ester;
methyl ester		allergen;
polymerisation monomer
phthalic anhydride[no description available]low002-benzofurans;
cyclic dicarboxylic anhydride		allergen
picryl chloride[no description available]low00C-nitro compound;
monochlorobenzenes		allergen;
epitope;
explosive;
hapten
2,6-diisocyanatotoluene[no description available]low00toluene meta-diisocyanateallergen;
hapten
veratric acid[no description available]low00benzoic acidsallergen;
plant metabolite
2,5-diaminotoluene[no description available]low00diamineallergen
ethylene dimethacrylate[no description available]low00enoate esterallergen;
cross-linking reagent;
polymerisation monomer
butylphen[no description available]low00phenolsallergen
carvone[no description available]low00botanical anti-fungal agent;
carvones		allergen
benzylamine[no description available]low00aralkylamine;
primary amine		allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite
4-aminodiphenylamine[no description available]low00aromatic amine;
secondary amino compound		allergen
4,4'-diphenylmethane diisocyanate[no description available]low00diisocyanateallergen;
hapten
n-isopropyl-n-phenyl-4-phenylenediamine[no description available]low00N-substituted diamineallergen;
antioxidant
4,4'-diaminodiphenylmethane[no description available]low00aromatic amineallergen;
carcinogenic agent
diphenylguanidine[no description available]low00guanidinesallergen
monobenzone[no description available]low00benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor
phenyl isocyanate[no description available]low00benzenes;
isocyanates		allergen;
hapten
phenylisothiocyanate[no description available]low00isothiocyanateallergen;
reagent
4-phenylenediamine[no description available]low00phenylenediamineallergen;
dye;
hapten;
reagent
glyoxal[no description available]low00dialdehydeagrochemical;
allergen;
pesticide;
plant growth regulator
maleic anhydride[no description available]low00cyclic dicarboxylic anhydride;
furans		allergen
butyl isocyanate[no description available]low00isocyanatesallergen
tetrachlorophthalic anhydride[no description available]low00cyclic dicarboxylic anhydride;
tetrachlorobenzene		allergen;
cross-linking reagent
framycetin[no description available]low00aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
dimethoxyphenylethylamine[no description available]low00alkaloid;
aromatic ether;
phenylethylamine		allergen;
plant metabolite
dibenzothiazyl disulfide[no description available]low00benzothiazoles;
organic disulfide		allergen
4-sulfanilic acid[no description available]low00aminobenzenesulfonic acidallergen;
environmental contaminant;
xenobiotic metabolite;
xenobiotic
resorcinol monobenzoate[no description available]low00benzoate esterallergen
ethyl isothiocyanate[no description available]low00isothiocyanateallergen
aminopenicillanic acid[no description available]low00amino acid zwitterion;
penicillanic acids		allergen
trimellitic anhydride[no description available]low002-benzofurans;
cyclic dicarboxylic anhydride;
dioxo monocarboxylic acid		allergen;
epitope;
hapten
anthrarobin[no description available]low00anthracenetriolallergen
toluene 2,4-diisocyanate[no description available]low00toluene meta-diisocyanateallergen;
hapten
methyl isocyanate[no description available]low00isocyanatesallergen;
apoptosis inducer
disperse orange 3[no description available]low00azobenzenes;
primary arylamine		allergen;
dye
1,6-hexamethylene diisocyanate[no description available]low00diisocyanateallergen;
hapten
hydroxyethyl methacrylate[no description available]low00enoate esterallergen;
polymerisation monomer
cyclohexylisocyanate[no description available]low00isocyanatesallergen
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
methylene bis(4-cyclohexylisocyanate)[no description available]low00diisocyanateallergen
potassium dichromate[no description available]low00potassium saltallergen;
oxidising agent;
sensitiser
nickel sulfate[no description available]low00metal sulfateallergen
beryllium sulfate[no description available]low00metal sulfateallergen
triforine[no description available]low00amide fungicide;
formamides;
N-alkylpiperazine;
organochlorine compound		allergen;
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
lamivudine[no description available]low00monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
1,2-dibromo-2,4-dicyanobutane[no description available]low00aliphatic nitrile;
organobromine compound		allergen;
sensitiser
squaric acid dibutyl ester[no description available]low00cyclic ketone;
diether		allergen;
immunological adjuvant
4-nitrobenzyl bromide[no description available]low00benzyl bromides;
C-nitro compound		allergen;
sensitiser
n-phenylglycine[no description available]low00non-proteinogenic alpha-amino acidallergen
3-pentadecacatechol[no description available]low00catecholsallergen
4-tolyl isocyanate[no description available]low00isocyanates;
toluenes		allergen;
hapten
bis(diphenylphosphine)ethane[no description available]low00diphosphanes;
tertiary phosphine		allergen
primin[no description available]low001,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite
disperse blue 124[no description available]low001,3-thiazoles;
monoazo compound;
tertiary amine		allergen;
dye;
hapten
fluazinam[no description available]low00(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound		allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
sulfamethoxazole hydroxylamine[no description available]low00isoxazoles;
sulfonamide		allergen;
metabolite
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
4-nitrososulfamethoxazole[no description available]low00isoxazoles;
nitroso compound;
sulfonamide		allergen;
metabolite
diphenylthiourea[no description available]low00thioureasallergen
pyrimidine-2-thiol[no description available]low00aryl thiol;
pyrimidines		allergen;
corrosion inhibitor
1,3-dibutyl-2-thiourea[no description available]low00thioureasallergen
thiobarbituric acid[no description available]low00barbituratesallergen;
reagent
2-thiopyridine[no description available]low00aryl thiol;
pyridines		allergen;
fluorescence quencher
krn 7000[no description available]low00glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant
cobaltous chloride[no description available]low00cobalt salt;
inorganic chloride		allergen;
calcium channel blocker;
sensitiser;
two-colour indicator
glyceryl monothioglycolate[no description available]low00thioglycolate esterallergen
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
chloramine-t[no description available]low00organic sodium saltallergen;
antifouling biocide;
disinfectant
tylosin[no description available]low00aldehyde;
disaccharide derivative;
enone;
leucomycin;
macrolide antibiotic;
monosaccharide derivative		allergen;
bacterial metabolite;
environmental contaminant;
xenobiotic
tixocortol pivalate[no description available]low00corticosteroid;
pivalate ester;
tertiary alpha-hydroxy ketone;
thioester		allergen;
anti-allergic agent;
glucocorticoid receptor agonist
6-tuliposide a[no description available]low006-O-acyl-D-glucose;
homoallylic alcohol		allergen;
metabolite
sodium bisulfite[no description available]low00inorganic sodium salt;
sulfite salt		allergen;
food antioxidant;
food colour retention agent;
mutagen;
reducing agent
beta-aminoarteether maleate[no description available]low00maleate saltallergen
4-methylumbelliferyl acetate[no description available]low00acetate ester;
coumarins		plant metabolite
5,7-dimethoxycoumarin[no description available]low00coumarins
scoparone[no description available]low00aromatic ether;
coumarins		anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
osthol[no description available]low00botanical anti-fungal agent;
coumarins		metabolite
cyclocumarol[no description available]low00coumarins
herniarin[no description available]low00coumarinsfluorochrome
coumarin-3-carboxylic acid[no description available]low00coumarins
chromonar[no description available]low00coumarins
7-ethoxycoumarin[no description available]low00aromatic ether;
coumarins
xanthyletine[no description available]low00coumarins
xanthoxyletin[no description available]low00coumarinsmetabolite
4-methyl-7-ethoxycoumarin[no description available]low00coumarins
seselin[no description available]low00coumarinsmetabolite
suberosin[no description available]low00aromatic ether;
coumarins		anticoagulant;
plant metabolite
cloricromen[no description available]low00coumarins
3-acetylcoumarin[no description available]low00coumarins
4-methylumbelliferyl sulfate[no description available]low00aryl sulfate;
coumarins		human xenobiotic metabolite
4-methylumbelliferyl butyrate[no description available]low00butyrate ester;
coumarins		chromogenic compound
7-(diethylamino)-1-benzopyran-2-one[no description available]low00coumarins
4-methylumbelliferyl glucuronide[no description available]low00beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor
4-methylumbelliferyl-galactopyranoside[no description available]low00beta-D-galactoside;
coumarins;
monosaccharide derivative		chromogenic compound
skimmin[no description available]low00coumarins;
glycoside
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide[no description available]low00benzenes;
coumarins;
maleimides;
tertiary amino compound		fluorescent dye
4-methylumbelliferylcellobioside[no description available]low00coumarins;
glycoside
N-(2-oxo-1-benzopyran-3-yl)acetamide[no description available]low00coumarins
bucumolol[no description available]low00coumarins
3-chloro-7-methoxy-4-methyl-1-benzopyran-2-one[no description available]low00coumarins
khellactone[no description available]low00coumarins
dentatin[no description available]low00coumarinsmetabolite
rosiglitazone[no description available]low00acetate ester;
coumarins;
diester		pro-angiogenic agent;
radical scavenger
5,7-dimethoxy-4-methyl-1-benzopyran-2-one[no description available]low00coumarins
7-methoxy-4-methyl-1-benzopyran-2-one[no description available]low00coumarins
scopolin[no description available]low00beta-D-glucoside;
coumarins;
monosaccharide derivative		plant metabolite
decursin[no description available]low00coumarins
visnadin[no description available]low00coumarins
glycyrin[no description available]low00aromatic ether;
coumarins;
hydroxyisoflavans		antibacterial agent;
metabolite;
plant metabolite
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one[no description available]low00coumarins
lomatin[no description available]low00coumarins
2-[(6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-N,N-dimethylacetamide[no description available]low00coumarins
2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide[no description available]low00coumarins
N-[3-(4-morpholinyl)propyl]-2-oxo-1-benzopyran-3-carboxamide[no description available]low00coumarins
8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-benzopyran-3-carboxamide[no description available]low00coumarins
2-[(6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]propanoic acid[no description available]low00coumarins
4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one[no description available]low00coumarins
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid[no description available]low00coumarins
3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-3-yl]propanoic acid ethyl ester[no description available]low00coumarins
3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)-1-benzopyran-2-one[no description available]low00coumarins
4,9-dimethyl-3-(2H-tetrazol-5-ylmethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one[no description available]low00coumarins
4-[(4-ethyl-1-piperazinyl)methyl]-5,7-dimethyl-1-benzopyran-2-one[no description available]low00coumarins
7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one[no description available]low00coumarins
7-(diethylamino)-2-oxo-1-benzopyran-3-carbonitrile[no description available]low00coumarins
2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide[no description available]low00coumarins
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester[no description available]low00coumarins;
isopropyl ester
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester[no description available]low00coumarins
6-methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide[no description available]low00coumarins
(4-Methyl-2-oxochromen-7-yl) furan-2-carboxylate[no description available]low00coumarinsanticoronaviral agent
2-furancarboxylic acid (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester[no description available]low00coumarins
N-(4-amino-2-oxo-1-benzopyran-3-yl)acetamide[no description available]low00coumarins
3-(8-methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one[no description available]low00coumarins
(4-Ethyl-2-oxochromen-7-yl) furan-2-carboxylate[no description available]low00coumarinsanticoronaviral agent
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-one[no description available]low00coumarins
7-methoxy-4,8-dimethyl-1-benzopyran-2-one[no description available]low00coumarins
8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one[no description available]low00coumarins
2-[(3-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester[no description available]low00coumarins
7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester[no description available]low00coumarins
2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamide[no description available]low00coumarins
1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea[no description available]low00coumarins
8-methoxy-N-methyl-2-oxo-1-benzopyran-3-carboxamide[no description available]low00coumarins
4-methyl-6-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-benzopyran-2-one[no description available]low00coumarins
3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-8-methoxy-1-benzopyran-2-one[no description available]low00coumarins
3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one[no description available]low00coumarins
3-[2-(4-aminoanilino)-4-thiazolyl]-1-benzopyran-2-one[no description available]low00coumarins
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide[no description available]low00coumarins
3-[oxo-[4-(2-phenylethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one[no description available]low00coumarins
6-bromo-N-[2-(dimethylamino)ethyl]-2-oxo-1-benzopyran-3-carboxamide[no description available]low00coumarins
8-methoxy-6-nitro-3-[oxo-(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]-1-benzopyran-2-one[no description available]low00coumarins
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide[no description available]low00coumarins
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid[no description available]low00coumarins
5-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid methyl ester[no description available]low00coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one[no description available]low00coumarins
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one[no description available]low00coumarins
Methyl 7-methoxycoumarin-4-acetate[no description available]low00coumarins
aurapten[no description available]low00coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl ester[no description available]low00coumarins
4-(4-methylphenyl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester[no description available]low00coumarins
5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid[no description available]low00coumarins
6-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one[no description available]low00coumarins
3-methoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide[no description available]low00coumarins
3-acetyl-7-methoxycoumarin[no description available]low00coumarins
acetic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester[no description available]low00coumarins
4-(2,3-dihydroindol-1-ylmethyl)-7-ethyl-1-benzopyran-2-one[no description available]low00coumarins
3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid[no description available]low00coumarins
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester[no description available]low00coumarins
1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester[no description available]low00coumarins
2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester[no description available]low00coumarins
2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester[no description available]low00coumarins
1-(2-hydroxyethyl)-4-[1]benzopyrano[3,4-d]triazolone[no description available]low00coumarins
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(2-pyridinylmethyl)acetamide[no description available]low00coumarins
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one[no description available]low00coumarins
N-cyclohexyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]acetamide[no description available]low00coumarins
3-bromo-N-(4-methyl-2-oxo-1-benzopyran-7-yl)benzamide[no description available]low00coumarins
3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester[no description available]low00coumarins
aflatoxin g2[no description available]low00coumarins
4-methylumbelliferyl glucoside[no description available]low00beta-D-glucoside;
coumarins;
monosaccharide derivative		chromogenic compound
6,8-difluoro-4-methylumbelliferyl phosphate[no description available]low00coumarins
2,3-dihydro-2,3-dihydroxyaflatoxin b(1)[no description available]low00coumarins
6,7,8-trimethoxycoumarin[no description available]low00coumarins
3-O-Acetylepisamarcandin[no description available]low00coumarins
conferone[no description available]low00coumarins
2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester[no description available]low00coumarins
N-[2-(1-cyclohexenyl)ethyl]-2-(4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)acetamide[no description available]low00coumarins
3-pyridinecarboxylic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester[no description available]low00coumarins
N-(3-methoxypropyl)-2-(4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)acetamide[no description available]low00coumarins
7-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-methyl-1-benzopyran-2-one[no description available]low00coumarins;
thienopyrimidine
N-(2-oxo-1-benzopyran-3-yl)cyclohexanecarboxamide[no description available]low00coumarins
4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one[no description available]low00coumarins
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester[no description available]low00coumarins
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester[no description available]low00coumarins
Meranzin hydrate[no description available]low00coumarins
N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-oxo-1-benzopyran-3-carboxamide[no description available]low00coumarins
capillarisin[no description available]low00coumarins
pteryxin[no description available]low00coumarins
4-[1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester[no description available]low00coumarins
glycycoumarin[no description available]low00aromatic ether;
coumarins;
resorcinols		antispasmodic drug;
plant metabolite
phebalosin[no description available]low00coumarins
urolithin b[no description available]low00coumarins
7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one[no description available]low00coumarins
3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one[no description available]low00coumarinsgeroprotector
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methyl-4-oxo-2-thieno[3,2-c][1]benzopyrancarboxamide[no description available]low00coumarins
N-ethyl-8-methyl-4-oxo-N-(phenylmethyl)-2-thieno[3,2-c][1]benzopyrancarboxamide[no description available]low00coumarins
trichodermamide a[no description available]low00coumarins
3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[[6-methoxy-2-oxo-3-[(2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-7-yl]oxy]-2-oxanyl]methoxy]pentanoic acid[no description available]low00coumarins;
glycoside
auraptenol[no description available]low00coumarins
foetidin[no description available]low00coumarins
ro5126766[no description available]low00aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
8-[1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one[no description available]low00coumarins
5,7-dimethoxy-4-methyl-8-[3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)propyl]-1-benzopyran-2-one[no description available]low00coumarins
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one[no description available]low00aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound
8-[3-(diethylamino)-1-(4-methoxyphenyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one[no description available]low00coumarins
coumermycin[no description available]low00aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor
urolithin c[no description available]low00coumarins
ConditionIndicatedRelationship StrengthStudiesTrials
Actinic Reticuloid Syndrome0low120
Anasarca0low10
B16 Melanoma0low10
Chronic Actinic Dermatitis0low120
Congenital Poikiloderma0low10
Contact Dermatitis0low40
Delayed Hypersensitivity0low10
Dermatitis Venenata0low40
Dermatitis, Actinic0low120
Dermatitis, Atopic0low20
Dermatitis, Contact0low40
Dermatitis, Contact, Photoallergic0low20
Dermatitis, Contact, Photosensitive0low20
Dermatitis, Contact, Phototoxic0low40
Dermatitis, Photoallergic0low20
Dermatitis, Photocontact0low20
Dermatitis, Phototoxic0low40
Disease Models, Animal0low40
Dropsy0low10
Eczema, Atopic0low20
Eczema, Contact0low40
Eczema, Infantile0low20
Edema0low10
Encephalitis, Polio0low10
Epidemic Acute Poliomyelitis0low10
Erythema0low20
Experimental Melanoma0low10
Experimental Melanomas0low10
Harding Passey Melanoma0low10
Hives0low10
Hydrops0low10
Hypersensitivity, Contact0low40
Hypersensitivity, Delayed0low10
Hypersensitivity, Tuberculin-Type0low10
Hypersensitivity, Type IV0low10
Infantile Paralysis0low10
Inflammation0low10
Innate Inflammatory Response0low10
Melanoma, B160low10
Melanoma, Cloudman S910low10
Melanoma, Experimental0low10
Melanoma, Harding-Passey0low10
Melanomas, Experimental0low10
Necrosis0low10
Neurodermatitis, Atopic0low20
Neurodermatitis, Disseminated0low20
Photoallergic Contact Dermatitis0low20
Photoallergy0low20
Photodermatitis0low120
Photosensitive Contact Dermatitis0low20
Photosensitivity Disorders0low120
Photosensitization0low120
Phototoxic Contact Dermatitis0low40
Phototoxic Dermatitis0low40
Phototoxicity0low40
Poikiloderma Atrophicans and Cataract0low10
Poikiloderma Congenitale0low10
Poikiloderma Congenitale of Rothmund-Thomson0low10
Poikiloderma of Rothmund-Thomson0low10
Polio0low10
Polio Encephalitis0low10
Poliomyelitis0low10
Poliomyelitis Infection0low10
Poliomyelitis, Acute0low10
Poliomyelitis, Nonpoliovirus0low10
Poliomyelitis, Preparalytic0low10
Rothmund-Thomson Syndrome0low10
Sensitivity and Specificity0low20
Sensitivity, Contact0low40
Tuberculin-Type Hypersensitivity0low10
Type IV Hypersensitivity0low10
Urticaria0low10

Research Highlights

Safety/Toxicity (5)

ArticleYear
Development of novel in vitro photosafety assays focused on the Keap1-Nrf2-ARE pathway.
Journal of applied toxicology : JAT, Volume: 36, Issue: 7		2016
Phosphorylation of histone H2AX is a powerful tool for detecting chemical photogenotoxicity.
The Journal of investigative dermatology, Volume: 131, Issue: 6		2011
Aquatic toxicity assessment of the additive 6-methylcoumarine using four experimental systems.
Archives of environmental contamination and toxicology, Volume: 56, Issue: 1		2009
Development of a highly sensitive in vitro phototoxicity assay using the SkinEthic reconstructed human epidermis.
Cell biology and toxicology, Volume: 16, Issue: 6		2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (1)

ArticleYear
Biodistribution study of free and microencapsulated 6-methylcoumarin in Wistar rats by HPLC.
Biomedical chromatography : BMC, Volume: 29, Issue: 2		2015
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (1)

ArticleYear
Application of terahertz spectroscopy combined with density functional theory to analysis of intermolecular weak interactions for coumarin and 6-methylcoumarin.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Dec-15, Volume: 263		2021
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]