beta-tetralone profile

Beta-tetralone, also known as 3,4-dihydro-1(2H)-naphthalenone, is a cyclic ketone that serves as a versatile building block in organic synthesis. It exhibits a diverse range of biological activities, including anti-inflammatory, anti-cancer, and antimicrobial properties. The synthesis of beta-tetralone typically involves Friedel-Crafts acylation of benzene with succinic anhydride, followed by a ring closure reaction. Beta-tetralone derivatives have been investigated for their potential therapeutic applications in various diseases, including cancer, Alzheimer's disease, and inflammatory disorders. Its unique chemical structure and diverse biological activities make it a subject of ongoing research in medicinal chemistry and drug discovery.'

ID Source	ID
PubMed CID	68266
CHEMBL ID	191664
SCHEMBL ID	10847
MeSH ID	M0054113

Synonym
NCIOPEN2_001186
chembl191664 ,
dihydro-naphthalenone, 4e
dihydronaphthalenone
1,2,3,4-tetrahydronaphthalen-2-one
bdbm23989
2(1h)-naphthalenone,4-dihydro-
nsc87083
.beta.-tetralone
2-tetralone ,
3,4-dihydro-2(1h)naphthalenone
nsc-87083
3,4-dihydronaphthalen-2(1h)-one
530-93-8
inchi=1/c10h10o/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4h,5-7h
2(1h)-naphthalenone, 3,4-dihydro-
beta-tetralone
beta-tetralone, 98%
3,4-dihydro-1h-naphthalen-2-one
3,4-dihydro-2(1h)-naphthalenone
T1167
STK802338
ai3-12003
nsc 87083
unii-k46zz833bh
k46zz833bh ,
einecs 208-498-3
AKOS005207031
3,4-dihydro-2-oxonaphthalene
FT-0613432
1,2,3,4-tetrahydro-2-naphthalenone
CS-B0118
SCHEMBL10847
DTXSID0060193
3,4-dihydro-1-h-naphthalen-2-one
3,4-dihydro-2-(1h)-naphthalenone
2-oxo-1,2,3,4-tetrahydronaphthalene
3,4-dihydro-2(1 h)-naphthalenone
3-tetralone
AC-27927
mfcd00001727
ss-tetralone
SY012263
F0001-1367
AS-30451
Q18345163
AMY18864
BBL100184
PB44019
beta -tetralone
EN300-21364
2-oxotetralin
Z104495562

Excerpt	Reference	Relevance
" Potent and specific inhibitors of the CYP2A6 enzyme can be used in the future to increase nicotine bioavailability and thus make oral nicotine administration feasible in smoking cessation therapy."	( Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. Juvonen, RO; Poso, A; Rahnasto, M; Raunio, H; Wittekindt, C, 2005)	0.33

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cytosol aminopeptidase	Bos taurus (cattle)	IC50 (µMol)	1,000.0000	0.0005	1.0005	3.5000	AID1798383
Leukotriene A-4 hydrolase	Homo sapiens (human)	IC50 (µMol)	1,000.0000	0.0005	1.2854	7.6500	AID1798383
Cytochrome P450 2A6	Homo sapiens (human)	IC50 (µMol)	20.9947	0.0044	3.8895	10.0000	AID241172; AID420671
Aminopeptidase N	Sus scrofa (pig)	IC50 (µMol)	1,000.0000	0.0005	3.5354	8.9000	AID1798383
Cytochrome P450 2A5	Mus musculus (house mouse)	IC50 (µMol)	9.7025	1.0000	4.2025	9.7051	AID241174; AID420670
Bacterial leucyl aminopeptidase	Vibrio proteolyticus	IC50 (µMol)	1,000.0000	0.0005	1.0005	3.5000	AID1798383
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
proteolysis	Leukotriene A-4 hydrolase	Homo sapiens (human)
lipid metabolic process	Leukotriene A-4 hydrolase	Homo sapiens (human)
response to zinc ion	Leukotriene A-4 hydrolase	Homo sapiens (human)
leukotriene biosynthetic process	Leukotriene A-4 hydrolase	Homo sapiens (human)
protein metabolic process	Leukotriene A-4 hydrolase	Homo sapiens (human)
peptide catabolic process	Leukotriene A-4 hydrolase	Homo sapiens (human)
response to peptide hormone	Leukotriene A-4 hydrolase	Homo sapiens (human)
type I pneumocyte differentiation	Leukotriene A-4 hydrolase	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2A6	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2A6	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 2A6	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2A6	Homo sapiens (human)
coumarin catabolic process	Cytochrome P450 2A6	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2A6	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
carboxypeptidase activity	Cytosol aminopeptidase	Bos taurus (cattle)
peptidase activity	Cytosol aminopeptidase	Bos taurus (cattle)
dipeptidase activity	Cytosol aminopeptidase	Bos taurus (cattle)
manganese ion binding	Cytosol aminopeptidase	Bos taurus (cattle)
metalloaminopeptidase activity	Cytosol aminopeptidase	Bos taurus (cattle)
disordered domain specific binding	Cytosol aminopeptidase	Bos taurus (cattle)
RNA binding	Leukotriene A-4 hydrolase	Homo sapiens (human)
aminopeptidase activity	Leukotriene A-4 hydrolase	Homo sapiens (human)
epoxide hydrolase activity	Leukotriene A-4 hydrolase	Homo sapiens (human)
leukotriene-A4 hydrolase activity	Leukotriene A-4 hydrolase	Homo sapiens (human)
protein binding	Leukotriene A-4 hydrolase	Homo sapiens (human)
peptidase activity	Leukotriene A-4 hydrolase	Homo sapiens (human)
zinc ion binding	Leukotriene A-4 hydrolase	Homo sapiens (human)
tripeptide aminopeptidase activity	Leukotriene A-4 hydrolase	Homo sapiens (human)
metalloaminopeptidase activity	Leukotriene A-4 hydrolase	Homo sapiens (human)
iron ion binding	Cytochrome P450 2A6	Homo sapiens (human)
coumarin 7-hydroxylase activity	Cytochrome P450 2A6	Homo sapiens (human)
enzyme binding	Cytochrome P450 2A6	Homo sapiens (human)
heme binding	Cytochrome P450 2A6	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2A6	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2A6	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytoplasm	Cytosol aminopeptidase	Bos taurus (cattle)
mitochondrion	Cytosol aminopeptidase	Bos taurus (cattle)
extracellular region	Leukotriene A-4 hydrolase	Homo sapiens (human)
nucleoplasm	Leukotriene A-4 hydrolase	Homo sapiens (human)
cytosol	Leukotriene A-4 hydrolase	Homo sapiens (human)
extracellular exosome	Leukotriene A-4 hydrolase	Homo sapiens (human)
tertiary granule lumen	Leukotriene A-4 hydrolase	Homo sapiens (human)
ficolin-1-rich granule lumen	Leukotriene A-4 hydrolase	Homo sapiens (human)
cytosol	Leukotriene A-4 hydrolase	Homo sapiens (human)
nucleus	Leukotriene A-4 hydrolase	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2A6	Homo sapiens (human)
cytoplasmic microtubule	Cytochrome P450 2A6	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2A6	Homo sapiens (human)
cytoplasm	Cytochrome P450 2A6	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1798383	Enzyme Inhibition Assay from Article 10.1016/j.bmc.2006.06.050: \\Synthesis and structure activity relationships of novel non-peptidic metallo-aminopeptidase inhibitors.\\	2006	Bioorganic & medicinal chemistry, Nov-01, Volume: 14, Issue:21	Synthesis and structure activity relationships of novel non-peptidic metallo-aminopeptidase inhibitors.
AID420671	Inhibition of human CYP2A6	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.
AID420670	Inhibition of mouse CYP2A5	2009	European journal of medicinal chemistry, May, Volume: 44, Issue:5	Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.
AID242975	Ratio of IC50 for human CYP2A6 to that of mouse CYP2A5 was determined	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID241174	Inhibitory concentration against mouse cytochrome P450 2A5	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
AID241172	Inhibitory concentration against human cytochrome P450 2A6	2005	Journal of medicinal chemistry, Jan-27, Volume: 48, Issue:2	Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (7.69)	18.7374
1990's	0 (0.00)	18.2507
2000's	7 (53.85)	29.6817
2010's	5 (38.46)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	13 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
benzaldehyde [no description available]	2.02	1	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
coumarin 2H-chromen-2-one: coumarin derivative	2.02	1	coumarins	fluorescent dye; human metabolite; plant metabolite
naphthalene [no description available]	2.44	2	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'	2.44	2	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenethylamine phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.	2.02	1	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	2.5	2	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
amphetamine Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.	2.02	1	primary amine
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.	2.5	2	carboxamidine; guanidines; one-carbon compound
4-dichlorobenzene dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4.	2.44	2	dichlorobenzene	insecticide
cumene hydroperoxide cumene hydroperoxide: RN given refers to parent cpd. cumene hydroperoxide : A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group.	2.08	1	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent
1-methylnaphthalene 1-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 1.	2.44	2	methylnaphthalene	carcinogenic agent; plant metabolite
1-chloronaphthalene 1-chloronaphthalene: word preservative; in xylamon the active ingredient is 60% 1-chloronaphthalene; structure in Merck Index, 9th ed, #2126	2.44	2
1-naphthol 1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.	2.44	2	naphthol	genotoxin; human xenobiotic metabolite
2-methylnaphthalene 2-methylnaphthalene: RN given refers to parent cpd. 2-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 2.	2.44	2	methylnaphthalene
2-chloronaphthalene 2-chloronaphthalene: structure in first source	2.44	2
2-methylquinoline 2-methylquinoline: RN given refers to parent cpd. methylquinoline : Any member of the class of quinolines carrying at least one methyl substituent.. quinaldine : A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group.	2.44	2	quinolines
2-methoxynaphthalene [no description available]	2.44	2	naphthalenes
4-methylbenzaldehyde p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position.	2.02	1	tolualdehyde	plant metabolite
1,4-dibromobenzene [no description available]	2.44	2	dibromobenzene
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	2.44	2	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
azulene [no description available]	2.11	1	azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene	plant metabolite; volatile oil component
1,2-dimethylnaphthalene 1,2-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 1 and 2.. dimethylnaphthalene : Any member of the class of naphthalenes carrying two methyl groups at unspecified positions.	2.44	2	dimethylnaphthalene
1,6-dimethylnaphthalene 1,6-dimethylnaphthalene: structure in first source	2.44	2	dimethylnaphthalene
2,6-dimethylnaphthalene 2,6-dimethylnaphthalene: RN given refers to parent cpd. 2,6-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 2 and 6.	2.44	2	dimethylnaphthalene	environmental contaminant
3-methylquinoline [no description available]	2.44	2	methylquinoline	xenobiotic
2,6-dimethylquinoline 2,6-dimethylquinoline: from roots of Peucedanum praeruptorum II	2.44	2
1-methylisoquinoline 1-methylisoquinoline : An isoquinoline substituted by a methyl group at position 1.	2.44	2	isoquinolines
4-chlorobiphenyl 4-chlorobiphenyl : A monochlorobiphenyl carrying a chloro substituent at position 4.	2.44	2	monochlorobiphenyl
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	2.01	1	metal allergen; nickel group element atom; platinum group metal atom
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	2.11	1	benzenes; phenyl acetates
4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.	2.02	1	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
2-aminotetralin 2-aminotetralin: RN given refers to parent cpd without isomeric designation; structure	2.03	1	tetralins
ubenimex ubenimex: growth inhibitor	2.03	1
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	2.05	1	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
pseudonicotine pseudonicotine: structure. (R)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration.	2.02	1	3-(1-methylpyrrolidin-2-yl)pyridine
2-chlorobiphenyl 2-chlorobiphenyl: RN from Toxlit. 2-chlorobiphenyl : A monochlorobiphenyl carrying a single chloro substituent at position 2.. monochlorobiphenyl : A chlorobiphenyl carrying a single chloro substituent at unspecified position.. chlorobiphenyl : A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups.	2.44	2	monochlorobiphenyl
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.11	1
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.	2.02	1	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	2	1	alkali metal atom
rishirilide b rishirilide B: alpha-macroglobulin inhibitor from Streptomyces rishiriensis; structure given in first source; RN given refers to (1alpha,2beta,3alpha)-(+)-isomer; alpha macroglobulin antagonist	2.15	1

Condition	Relationship Strength	Studies
Bacterial Disease [description not available]	2.15	1
Koch's Disease [description not available]	2.15	1
Bacterial Infections Infections by bacteria, general or unspecified.	2.15	1
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	2.15	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2	1
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	2	1

beta-tetralone

Cross-References

Synonyms (53)

Research Excerpts

Bioavailability

Protein Targets (6)

Inhibition Measurements

Biological Processes (14)

Molecular Functions (19)

Ceullar Components (12)

Bioassays (6)

Research

Studies (13)

Market Indicators

Research Demand Index: 25.79

Study Types