Classification Term: 3879

Potential component of FEMA 3662. 2,4-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite. 2',4'-Dihydroxyacetophenone (Resacetophenone) is acetophenone carrying hydroxy substituents at positions 2' and 4'. A plant metabolite.

Paeonol

1-(2-hydroxy-4-methoxyphenyl)ethan-1-one

C9H10O3 (166.063)

A polyphenol metabolite detected in biological fluids [PhenolExplorer] Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively. Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively.

4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone

1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one

C13H16O2 (204.115)

4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)

2',6'-Dihydroxy-4'-methoxyacetophenone

Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)- (9ci)

C9H10O4 (182.0579)

2,6-Dihydroxy-4-methoxyacetophenone is found in european plum. 2,6-Dihydroxy-4-methoxyacetophenone is isolated from the bark of Prunus domestica (plum Isolated from the bark of Prunus domestica (plum). 2,6-Dihydroxy-4-methoxyacetophenone is found in sweet orange, fruits, and european plum.

Xanthoxylin

Acetophenone, 2-hydroxy-4,6-dimethoxy- (8CI)

obtained from Zanthoxylum piperitum (Japanese pepper tree) and Sapium sebiferum (Chinese tallowtree). Xanthoxylin is found in many foods, some of which are herbs and spices, german camomile, fats and oils, and pomegranate. Xanthoxylin is found in fats and oils. Xanthoxylin is obtained from Zanthoxylum piperitum (Japanese pepper tree) and Sapium sebiferum (Chinese tallowtree Xanthoxylin (Xanthoxyline) is isolated from Zanthoxylum simulans. Xanthoxylin (Xanthoxyline) has antifungal and antispasmodic activities[1][2]. Xanthoxylin (Xanthoxyline) is isolated from Zanthoxylum simulans. Xanthoxylin (Xanthoxyline) has antifungal and antispasmodic activities[1][2].

L-Formylkynurenine

(2S)-2-azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate

C11H12N2O4 (236.0797)

This compound belongs to the family of Butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.

4-(2-Aminophenyl)-2,4-dioxobutanoic acid

2-Amino-alpha,gamma-dioxobenzenebutanoic acid

C10H9NO4 (207.0532)

4-(2-Aminophenyl)-2,4-dioxobutanoic acid is a substrate for Kynurenine/alpha-aminoadipate aminotransferase mitochondrial. [HMDB] 4-(2-Aminophenyl)-2,4-dioxobutanoic acid is a substrate for Kynurenine/alpha-aminoadipate aminotransferase mitochondrial.

2-succinylbenzoate

4-(2-Carboxyphenyl)-4-oxobutyric acid

C11H10O5 (222.0528)

O-succinylbenzoate, also known as 4-(2-carboxyphenyl)-4-oxobutyric acid or 2-(3-carboxypropionyl)benzoic acid, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. O-succinylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). O-succinylbenzoate can be synthesized from benzoic acid. O-succinylbenzoate can also be synthesized into 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA. O-succinylbenzoate can be found in a number of food items such as nectarine, green bean, japanese persimmon, and rye, which makes O-succinylbenzoate a potential biomarker for the consumption of these food products. O-succinylbenzoate may be a unique E.coli metabolite.

4'-Nitroacetophenone

1-(4-nitrophenyl)ethan-1-one

C8H7NO3 (165.0426)

D011838 - Radiation-Sensitizing Agents

3-Hydroxykynurenamine

3-amino-1-(2-amino-3-hydroxyphenyl)propan-1-one

C9H12N2O2 (180.0899)

This compound belongs to the family of Phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

5-Hydroxykynurenamine

3-Amino-1-(2-amino-5-hydroxyphenyl)-1-propanone

C9H12N2O2 (180.0899)

5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase. [HMDB] 5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase.

4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid

2-Amino-3-hydroxy-alpha,gamma-dioxobenzenebutanoic acid

C10H9NO5 (223.0481)

4-(2 Amino-3-hydroxyphenyl)-2,4-dioxobutanoate is found in the tryptophan metabolic pathway and is an intermediate in tryptophan degradation [Kegg: C05645]. More specifically it is an intermediate in the conversion of 3-hydroxy-L-kynurenine to xanthurenate. The conversion is catalyzed by kynurenine aminotransferase (EC 2.6.1.7). [HMDB] 4-(2 Amino-3-hydroxyphenyl)-2,4-dioxobutanoate is found in the tryptophan metabolic pathway and is an intermediate in tryptophan degradation [Kegg: C05645]. More specifically it is an intermediate in the conversion of 3-hydroxy-L-kynurenine to xanthurenate. The conversion is catalyzed by kynurenine aminotransferase (EC 2.6.1.7).

Formyl-5-hydroxykynurenamine

N-(2-(6-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)-acetamide

C10H12N2O3 (208.0848)

Formyl-5-hydroxykynurenamine belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group and a phenyl group. Formyl-5-hydroxykynurenamine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Formyl-5-hydroxykynurenamine can be biosynthesized from serotonin; which is mediated by the enzyme indoleamine 2,3-dioxygenase 1 [EC 1.13.11.52]. In humans, formyl-5-hydroxykynurenamine is involved in the tryptophan metabolism pathway. Formyl-5-hydroxykynurenamine is found in the tryptophan metabolism pathway. It is produced from serotonin through the action of indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB]

5-Hydroxy-N-formylkynurenine

2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid

C11H12N2O5 (252.0746)

5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52]. [HMDB] 5-Hydroxy-N-formylkynurenine is an intermediate in tryptophan metabolism. 5-Hydroxy-N-formylkynurenine is converted from 5-Hydroxy-L-tryptophan via the enzyme, indoleamine 2,3-dioxygenase [EC:1.13.11.52].

5-Hydroxykynurenine

2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.0797)

5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28]. [HMDB] 5-Hydroxykynurenine is found in the tryptophan metabolism pathway. It is created from 5-Hydroxy-N-formylkynurenine through the action of arylformamidase [EC:3.5.1.9]. 5-Hydroxykynurenine is then converted to 5-Hydroxykynurenamine by the action of dopa decarboxylase [EC:4.1.1.28].

Acetohexamide

4-Acetyl-N-((cyclohexylamino)carbonyl)benzenesulphonamide

C15H20N2O4S (324.1144)

Acetohexamide is only found in individuals that have used or taken this drug. It is a sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide. [PubChem]Sulfonylureas such as acetohexamide bind to an ATP-dependent K⁺ channel on the cell membrane of pancreatic beta cells. This inhibits a tonic, hyperpolarizing outflux of potassium, which causes the electric potential over the membrane to become more positive. This depolarization opens voltage-gated Ca²⁺ channels. The rise in intracellular calcium leads to increased fusion of insulin granulae with the cell membrane, and therefore increased secretion of (pro)insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents

3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone

C11H14O4 (210.0892)

3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone is found in alcoholic beverages. 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone is a constituent of Humulus lupulus (hops). Constituent of Humulus lupulus (hops). Phlorisovalerophenone is found in many foods, some of which are bitter gourd, breadfruit, devilfish, and pepper (c. chinense).

phlorisobutyrophenone

2-Methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one

Phlorisobutyrophenone, also known as 2-methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone or 1-isobutanoyl-2,4,6-trihydroxybenzene, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Phlorisobutyrophenone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phlorisobutyrophenone can be found in a number of food items such as chickpea, common cabbage, angelica, and swamp cabbage, which makes phlorisobutyrophenone a potential biomarker for the consumption of these food products.

Ketanserin

3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

C22H22FN3O3 (395.1645)

C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KD - Serotonin antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Ketanserin is a selective 5-HT2 receptor antagonist. Ketanserin also blocks hERG current (IhERG) in a concentration-dependent manner (IC50=0.11 μM).

Dyclonine

1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one

C18H27NO2 (289.2042)

Dyclonine is only found in individuals that have used or taken this drug. It is an oral anaesthetic found in Sucrets, an over the counter throat lozenge. It is also found in some varieties of the Cepacol sore throat spray.Dyclonine blocks both the initiation and conduction of nerve impulses by decreasing the neuronal membranes permeability to sodium ions. This reversibly stabilizes the membrane and inhibits depolarization, resulting in the failure of a propagated action potential and subsequent conduction blockade. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

Danielone

2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one

C10H12O5 (212.0685)

Phytoalexin isolated from the fruits of papaya (Carica papaya). Danielone is found in papaya and fruits. Danielone is found in fruits. Phytoalexin isolated from the fruits of papaya (Carica papaya

3',4'-Dihydroxyacetophenone

1-(3,4-Dihydroxyphenyl)ethanone, 9CI

3,4-Dihydroxyacetophenone is found in coffee and coffee products. 3,4-Dihydroxyacetophenone is extracted from coffee residues. Potential component of FEMA 3662. 3,4-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavourin D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents 3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2]. 3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2].

2,4'-Dihydroxyacetophenone

2-Hydroxy-1-(4-hydroxyphenyl)ethanone, 9ci

Potential component of FEMA 3662. 2,4-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient

1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-

N'-Formylkynurenine

alpha-Amino-2-(formylamino)-gamma-oxo-benzenebutanoic acid

C11H12N2O4 (236.0797)

Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals. [HMDB] Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals.

L-3-Hydroxykynurenine

(2S)-2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid

C10H12N2O4 (224.0797)

L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474) [HMDB] L-3-Hydroxykynurenine (L-3-HK) is a metabolite in the kynurenine pathway, the major route of tryptophan degradation in mammals. Kynurenine 3-monooxygenase, an NADPH-dependent flavin monooxygenase, catalyses the hydroxylation of L-kynurenine to L-3-hydroxykynurenine. 3-hydroxykynurenine can be converted to 3-hydroxyanthranilate by the enzyme 3-hydroxykinureninase. It may also be converted to 4-(2-amino-3-hydroxphenyl)-2,4-dioxobutanoate by the enzyme kynurenine-oxoglutarate transaminase. L-3-Hydroxykynurenine (L-3-HK) is a known generator of highly reactive free radicals. An elevation of L-3-HK levels has been shown to constitute a significant hazard in situations of excitotoxic injury. In particular, L-3-HK may contribute to the neuronal deficits underlying HIV-associated dementia (PMID: 7830088). Pharmacological interventions aimed at decreasing L-3-HK formation may therefore be particularly useful for the treatment of neurological diseases which are associated with an abnormally enhanced flux through the kynurenine pathway (PMID: 10583474).

D-Kynurenine

(2R)-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one

C10H12N2O3 (208.0848)

Kynurenine, also known as 3-anthraniloylalanine, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Kynurenine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Kynurenine can be found in a number of food items such as yellow zucchini, carrot, spinach, and broccoli, which makes kynurenine a potential biomarker for the consumption of these food products. Kynurenine is synthesized by the enzyme tryptophan dioxygenase, which is made primarily but not exclusively in the liver, and indoleamine 2,3-dioxygenase, which is made in many tissues in response to immune activation. Kynurenine and its further breakdown products carry out diverse biological functions, including dilating blood vessels during inflammation and regulating the immune response. Some cancers increase kynurenine production, which increases tumor growth . 2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid is an endogenous metabolite.

4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone

1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone, 9CI

C14H18N2O5 (294.1216)

Musk ketone is a light yellow crystalline solid. Insoluble in water. (NTP, 1992) 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is an aromatic ketone. Musk ketone is a natural product found in Moschus with data available. 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is listed in the EAFUS Food Additive Database (Jan 2001 Listed in the EAFUS Food Additive Database (Jan 2001) D000970 - Antineoplastic Agents Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].

2',4'-Dihydroxy-6'-methoxyacetophenone

2-O-Methylphloroacetophenone; 2,4-Dihydroxy-6-methoxyacetophenone

C9H10O4 (182.0579)

2,4-Dihydroxy-6-methoxyacetophenone is an aromatic ketone. 2,4-Dihydroxy-6-methoxyacetophenone is a natural product found in Artemisia oliveriana, Kniphofia foliosa, and other organisms with data available. 2,4-Dihydroxy-6-methoxyacetophenone is found in herbs and spices. 2,4-Dihydroxy-6-methoxyacetophenone is a constituent of Artemisia sp. Constituent of Artemisia species 2,4-Dihydroxy-6-methoxyacetophenone is found in herbs and spices.

Bancroftinone

Ethanone, 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)-

C11H14O4 (210.0892)

Bancroftinone is found in herbs and spices. Bancroftinone is isolated from clove oil. Isolated from clove oil. Bancroftinone is found in herbs and spices. Bancroftinone is an aromatic ketone. Bancroftinone, a natural product, belongs to the class of alkyl-phenylketones[1]. Bancroftinone, a natural product, belongs to the class of alkyl-phenylketones[1].

Malabaricone C

1-(2,6-Bis(oxidanyl)phenyl)-9-(3,4-bis(oxidanyl)phenyl)nonan-1-one

C21H26O5 (358.178)

Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006). Malabaricone C a diarylnonanoid, shows strong scavenging activity. (PMID 16104820). Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006) Malabaricone C is a butanone. It has a role as a metabolite. Malabaricone C is a natural product found in Myristica cinnamomea, Myristicaceae, and other organisms with data available. A natural product found in Myristica cinnamomea. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1].

2',5'-Dihydroxyacetophenone

2 inverted exclamation mark ,5 inverted exclamation mark -Dihydroxyacetophenone

2,5-Dihydroxyacetophenone is an aromatic ketone. 2,5-Dihydroxyacetophenone is a natural product found in Cynanchum wilfordii and Ganoderma applanatum with data available. 2,5-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavouring. Potential component of FEMA 366 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1]. 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1]. 2,5-Dihydroxyacetophenone, isolated from Rehmannia glutinosa, inhibits the production of inflammatory mediators in activated macrophages by blocking the ERK1/2 and NF-κB signaling pathways[1].

4'-Methylacetophenone

4-Methylacetophenone, Vetec(TM) reagent grade, 94\\%

4-Methylacetophenone, also known as melilot or sweet clover, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-Methylacetophenone is a sweet, acetophenone, and bitter almond tasting compound. 4-Methylacetophenone has been detected, but not quantified, in several different foods, such as citrus, garden tomato, pepper (spice), garden tomato (var.), and milk and milk products. This could make 4-methylacetophenone a potential biomarker for the consumption of these foods. Present in sour cherry, orange, grapefruit peel, blackcurrants, guava, peach, other fruits, celery, potato, tomato, pepper, parsley, smoked fish, cognac, Parmesan cheese and other foodstuffs. Flavouring ingredient. 4-Methylacetophenone is found in many foods, some of which are green vegetables, herbs and spices, garden tomato, and potato. 4-Methylacetophenone is an aromatic ketone. 4-Methylacetophenone is a natural product found in Cichorium endivia, Myrocarpus frondosus, and other organisms with data available. 4-Methylacetophenone is a metabolite found in or produced by Saccharomyces cerevisiae. 4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1]. 4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1].

2'-Hydroxyacetophenone

1-(2-Hydroxyphenyl)ethanone; Paracetamol Imp. I (EP); 2-Hydroxyacetophenone; Paracetamol Impurity I

C8H8O2 (136.0524)

2-Hydroxyacetophenone, also known as 2-acetylphenol or 2-hydroxyacetylbenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-Hydroxyacetophenone is a sweet, hawthorne, and herbal tasting compound. 2-hydroxyacetophenone has been detected, but not quantified, in several different foods, such as chinese cinnamons, tea, coffee and coffee products, alcoholic beverages, and garden tomato. 2-acetylphenol is a monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. It has a role as a flavouring agent. It is a monohydroxyacetophenone and a member of phenols. 2-Hydroxyacetophenone is a natural product found in Castanopsis cuspidata, Mangifera indica, and other organisms with data available. Present in tomato, cassia (Cinnamomum cassia), fried beef, rum, whiskey, cocoa, coffee and black tea. Flavouring ingredient. 2-Hydroxyacetophenone is found in many foods, some of which are garden tomato, tea, chinese cinnamon, and herbs and spices. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis. 2'-Hydroxyacetophenone is found in alcoholic beverages. 2'-Hydroxyacetophenone is present in tomato, cassia, fried beef, rum, whiskey, cocoa, coffee and black tea. 2'-Hydroxyacetophenone is a flavouring ingredient. Building block in chemical synthesis.

Methcathinone

Monomethylpropion hydrochloride, 14C-labeled

C10H13NO (163.0997)

Injecting this substance has recently been associated with symptoms similar to those seen in patients with Parkinsons Disease (Manganism) due to the compound manganese dioxide which is a byproduct of synthesis with permanganate. Methcathinone (α-methylamino-propiophenone or ephedrone) is a psychoactive stimulant, sometimes used as a recreational drug and considered addictive. It is usually snorted, but can be smoked, injected, or taken orally. Methcathinone is currently a DEA Schedule I controlled substance in the United States. Methcathinone is a beta-keto N-methylampthetamine and is closely related to the naturally occurring compounds, cathinone and cathine. It is also very closely related to methamphetamine, differing by only the ketone substituent and differing from amphetamine by both a keto and N-methyl substituent. The C=O bond at the R-position (directly right of the benzene ring) is slightly polar, and as a result the drug does not cross the lipid blood-brain barrier quite as well as amphetamine. Nevertheless, it is a potent CNS stimulant and dopamine reuptake inhibitor. Chronic high dosage use may result in acute mental confusion ranging from mild paranoia to psychosis. These symptoms typically disappear quickly if use is stopped.

Mephedrone

2-(methylamino)-1-(4-methylphenyl)propan-1-one

C11H15NO (177.1154)

In 2010, unconfirmed reports speculated about the role mephedrone has played in the deaths of several young people in the UK. By July 2010, mephedrone had been alleged to be involved in 52 fatalities in the UK, but detected in only 38 of these cases. Of the nine that coroners had finished investigating, two were caused directly by mephedrone. The first death reported to be caused by mephedrone use was that of 46-year-old, John Sterling Smith, who had underlying health problems and repeatedly injected the drug. A report in Forensic Science International in August 2010 stated mephedrone intoxication has been recorded as the cause of death in two cases in Scotland. Post mortem samples showed the concentration of mephedrone in their blood was 22 mg/l in one case and 3.3 mg/l in the other. The death of a teenager in the UK in November 2009 was widely reported as being caused by mephedrone, but a report by the coroner concluded she had died from natural causes. In March 2010, the deaths of two teenagers in Scunthorpe were widely reported by the media to be caused by mephedrone. Toxicology reports showed the teenagers had not taken any mephedrone and had died as a result of consuming alcohol and the heroin substitute methadone. According to Fiona Measham, a criminologist who is a member of the ACMD, the reporting of the unconfirmed deaths by newspapers followed the usual cycle of exaggeration, distortion, inaccuracy and sensationalism associated with the reporting of recreational drug use. Mephedrone is a white substance. It is sold most commonly as crystals or a powder, but also in the form of capsules or pills. It can have a distinctive odour, reported to range from a synthetic fishy smell to the smell of vanilla and bleach, stale urine, or electric circuit boards. Mephedrone is one of hundreds of designer drugs or legal highs that have been reported in recent years, including artificial chemicals such as synthetic cannabis and semisynthetic substances such as methylhexaneamine. These drugs are primarily developed to avoid being controlled by laws against illegal drugs, thus giving them the label of designer drugs. According to the European Monitoring Centre for Drugs and Drug Addiction, the synthesis of mephedrone was first reported in 1929 by Saem de Burnaga Sanchez in the Bulletin de la Societe Chimique de France, under the name toluyl-alpha-monomethylaminoethylcetone,:17 but the compound remained an obscure product of academia until 2003, when it was re-discovered and publicised by an underground chemist on The Hive website, working under the pseudonym Kinetic. Mephedrone, also known as 4-methylmethcathinone (4-MMC), or 4-methylephedrone, is a synthetic stimulant drug of the amphetamine and cathinone classes. Slang names include meph, drone, MCAT, meow meow, and bubble. It is reportedly manufactured in China and is chemically similar to the cathinone compounds found in the khat plant of eastern Africa. It comes in the form of tablets or a powder, which users can swallow, snort or inject, producing similar effects to MDMA, amphetamines, and cocaine.

Droperidol

1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[D]imidazol-2-one

C22H22FN3O2 (379.1696)

A butyrophenone with general properties similar to those of haloperidol. It is used in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C323 - Butyrophenone D005765 - Gastrointestinal Agents > D000932 - Antiemetics Droperidol is a butyrophenone-type Dopamine-2 receptor antagonist.

1-Phenyl-1-pentanone

N-Butyl phenyl ketone

1-Phenyl-1-pentanone is found in green vegetables. 1-Phenyl-1-pentanone is found in celer Found in celery

4'-Methoxyacetophenone

1-(4-methoxyphenyl)ethan-1-one

4-Methoxyacetophenone is found in alcoholic beverages. 4-Methoxyacetophenone is a trace constituent of oil of Piper longum (long pepper). 4-Methoxyacetophenone is present in cranberry (Vaccinium oxycoccus) and other fruits, tomato, anise (Pimpinella anisum), grilled and roasted beef and sherry. 4-Methoxyacetophenone is a flavouring ingredient and adjuvant; useful in vanilla, nut, tobacco and butter flavour. 4-Methoxyacetophenone is trace constituent of oil of Piper longum (long pepper). It is found in cranberry (Vaccinium oxycoccus) and other fruits, tomato, anise (Pimpinella anisum), grilled and roasted beef and sherry. Propyl 3-methylbutanoate can be used as a flavouring ingredient and adjuvant; useful in vanilla, nut, tobacco and butter flavours.

1-Phenyl-1,3-eicosanedione

C26H42O2 (386.3185)

1-Phenyl-1,3-eicosanedione is found in fats and oils. 1-Phenyl-1,3-eicosanedione is a constituent of the pollen of Helianthus annuus (sunflower). Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-eicosanedione is found in fats and oils.

2-Aminoacetophenone

2-Aminoacetophenone hydrochloride

C8H9NO (135.0684)

2-Aminoacetophenone is found in cereals and cereal products. 2-Aminoacetophenone is a component of tortilla aroma and of other corn flour product Component of tortilla aroma and of other corn flour products. 2-Aminoacetophenone is found in cereals and cereal products.

2',6'-Dihydroxyacetophenone

Ethanone, 1-(2,6-dihydroxyphenyl)- (9ci)

Potential component of FEMA 3662. 2,6-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient 2,6-Dihydroxyacetophenone is an endogenous metabolite. 2,6-Dihydroxyacetophenone is an endogenous metabolite.

3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone

C9H10O3 (166.063)

3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits. 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is a constituent of Carissa edulis (agam). Constituent of Carissa edulis (agam). 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits.

2'-Hydroxy-4',6'-dimethoxy-3'-methylacetophenone

1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethan-1-one

C11H14O4 (210.0892)

2-Hydroxy-4,6-dimethoxy-3-methylacetophenone is found in fruits. 2-Hydroxy-4,6-dimethoxy-3-methylacetophenone is isolated from Java plum blossom (Eugenia jambolana). Isolated from Java plum blossom (Eugenia jambolana). Methylxanthoxylin is found in fruits.

2-Methylacetophenone

1-(2-Methylphenyl)ethan-1-one

2-Methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group and a phenyl group. 2-Methylacetophenone is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Methylacetophenone is used as a food additive (EAFUS: Everything Added to Food in the United States). 2-Methylacetophenone is an endogenous metabolite. 2-Methylacetophenone is an endogenous metabolite.

2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone

2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one

C15H20O4 (264.1362)

2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone is found in alcoholic beverages. 2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone is a constituent of Helichrysum species Also found in hops. Constituent of Helichrysum subspecies Also found in hops

1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione

C13H16O5 (252.0998)

1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is found in herbs and spices. 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is a constituent of Eugenia caryophyllata (clove) oil

Isoacoramone

1-(2,4,5-trimethoxyphenyl)propan-1-one

C12H16O4 (224.1049)

Constituent of Acorus calamus (sweet flag). Isoacoramone is found in herbs and spices and root vegetables. Isoacoramone is found in herbs and spices. Isoacoramone is a constituent of Acorus calamus (sweet flag).

2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone

C10H12O5 (212.0685)

2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is found in alcoholic beverages. 2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is a constituent of Riesling wine. Constituent of Riesling wine. 2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is found in alcoholic beverages.

4-Hydroxy-2,3,9-trimethoxypterocarpan

4,5,14-trimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-6-ol

C18H18O6 (330.1103)

4-Hydroxy-2,3,9-trimethoxypterocarpan is found in common pea. 4-Hydroxy-2,3,9-trimethoxypterocarpan is isolated from Pisum sativum (pea).

4-Deoxycohumulone

2,4-Bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-1,3,5-cyclohexanetrione, 9ci

C20H28O4 (332.1987)

4-Deoxycohumulone is found in alcoholic beverages. 4-Deoxycohumulone is a bitter principle from hops (Humulus lupulus). Bitter principle from hops (Humulus lupulus). 4-Deoxycohumulone is found in alcoholic beverages.

2'-Hydroxy-5'-methylacetophenone

1-(2-Hydroxy-5-methylphenyl)ethanone, 9ci

2-Hydroxy-5-methylacetophenone is found in coffee and coffee products. 2-Hydroxy-5-methylacetophenone is a flavouring for coffe Flavouring for coffee. 2-Hydroxy-5-methylacetophenone is found in coffee and coffee products. 2'-Hydroxy-5'-methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

Thalictroidine

1-(4-hydroxyphenyl)-2-(1-methylpiperidin-2-yl)ethan-1-one

C14H19NO2 (233.1416)

Thalictroidine is found in coffee and coffee products. Thalictroidine is an alkaloid from the rhizomes of Caulophyllum thalictroides (blue cohosh Alkaloid from the rhizomes of Caulophyllum thalictroides (blue cohosh). Thalictroidine is found in coffee and coffee products.

2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone

1-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxy-6-methoxyphenyl}ethan-1-one

C19H26O3 (302.1882)

2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables. 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables.

4-Deoxyhumulone

3-Methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-butanone, 9ci

C21H30O4 (346.2144)

4-Deoxyhumulone is found in alcoholic beverages. 4-Deoxyhumulone is isolated from hops (Humulus lupulus). Isolated from hops (Humulus lupulus). 4-Deoxyhumulone is found in alcoholic beverages.

2'-Aminoacetophenone

2-Aminoacetophenone hydrochloride

C8H9NO (135.0684)

2-Aminoacetophenone, also known as O-acetylaniline or 1-acetyl-2-aminobenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-Aminoacetophenone exists as a solid, slightly soluble (in water), and an extremely weak acidic (essentially neutral) compound (based on its pKa). Within the cell, 2-aminoacetophenone is primarily located in the cytoplasm. 2-Aminoacetophenone is a sweet, foxy, and grape tasting compound that can be found in fruits and milk and milk products. This makes 2-aminoacetophenone a potential biomarker for the consumption of these food products. 2'-Aminoacetophenone is an aromatic compound containing a ketone substituted by one alkyl group, and a phenyl group. 2'-Aminoacetophenone can be used as a breath biomarker for the detection of Ps. Aeruginosa infections in the cystic fibrosis lung[1].

1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone

1-(5-acetyl-2-hydroxyphenyl)-3-methylbutan-1-one

C13H16O3 (220.1099)

1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone is found in root vegetables. 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone is a constituent of Polymnia sonchifolia (yacon)

p-Hydroxynonanophenone

1-(4-hydroxyphenyl)nonan-1-one

C15H22O2 (234.162)

p-Hydroxynonanophenone is found in alcoholic beverages. p-Hydroxynonanophenone is a constituent of Humulus lupulus (hops). Constituent of Humulus lupulus (hops). p-Hydroxynonanophenone is found in alcoholic beverages.

m-Methylacetophenone

1-(3-methylphenyl)ethan-1-one

m-Methylacetophenone belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure

1-Phenyl-1-propanone

1-PROPANONE,1-phenyl propiophenone

Present in Camembert cheese, coffee, tea and roasted nuts. Flavouring ingredient. 1-Phenyl-1-propanone is found in many foods, some of which are tea, coffee and coffee products, nuts, and milk and milk products. 1-Phenyl-1-propanone is found in coffee and coffee products. 1-Phenyl-1-propanone is present in Camembert cheese, coffee, tea and roasted nuts. 1-Phenyl-1-propanone is a flavouring ingredien

3,4-Dihydroxyphenacyl caffeate

2-(3,4-Dihydroxyphenyl)-2-oxoethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

C17H14O7 (330.0739)

3,4-Dihydroxyphenacyl caffeate is found in green vegetables. 3,4-Dihydroxyphenacyl caffeate is a constituent of the rhizomes of Petasites japonicus (sweet coltsfoot)

4-Deoxyadhumulone

1-[2,4,6-Trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-2-methyl-1-butanone, 9ci

C21H30O4 (346.2144)

4-Deoxyadhumulone is found in alcoholic beverages. 4-Deoxyadhumulone is isolated from hops (Humulus lupulus). Isolated from hops (Humulus lupulus). 4-Deoxyadhumulone is found in alcoholic beverages.

Italidipyrone

6-ethyl-3-({3-[(6-ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl)methyl]-2,4,6-trihydroxy-5-(2-methylbutanoyl)phenyl}methyl)-4-hydroxy-5-methyl-2H-pyran-2-one

C29H34O10 (542.2152)

Italidipyrone is found in herbs and spices. Italidipyrone is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). Italidipyrone is found in tea and herbs and spices.

Hydroxybupropion

1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one

C13H18ClNO2 (255.1026)

Hydroxybupropion is found in the bupropion degradation pathway. Bupropion reacts with NADPH and O2 to produce hydroxybupropion, with NADP+ and H2O as byproducts. [HMDB] Hydroxybupropion is found in the bupropion degradation pathway. Bupropion reacts with NADPH and O2 to produce hydroxybupropion, with NADP+ and H2O as byproducts.

Kynuramine

3-amino-1-(2-aminophenyl)propan-1-one

C9H12N2O (164.095)

Kynuramines are endogenously occurring diamines derived from tryptophan. [HMDB] Kynuramines are endogenously occurring diamines derived from tryptophan.

3-Phenylpropionylglycine

2-[(3-oxo-3-phenylpropyl)amino]acetic acid

C11H13NO3 (207.0895)

3-Phenylpropionylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:acyl-CoA + glycine < -- > CoA + N-acylglycineUrinary excretion of 3-phenylpropionylglycine is a diagnostic marker for medium-chain acyl-CoA dehydrogenase deficiency. 3-phenylpropionylglycine is derived from 3-phenylpropionic acid, a product of anaerobic bacterial metabolism in the gut. (PMID 1541011). 3-Phenylpropionylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:

2',3'-Dihydroxyacetophenone

1-(2,3-Dihydroxyphenyl)ethanone, 9ci

Potential component of FEMA 3662. 2,3-Dihydroxyacetophenone is a flavouring ingredien Potential component of FEMA 3662. Flavouring ingredient

3',5'-Dihydroxyacetophenone

1-(3,5-Dihydroxyphenyl)ethanone, 9ci

3,5-Dihydroxyacetophenone is a mixture of dihydroxyacetophenone isomers is used in food flavouring. Potential component of FEMA 366

4'-Isopropylacetophenone

1-[4-(1-Methylethyl)phenyl]ethanone, 9ci

4-Isopropylacetophenone is a flavouring ingredien Flavouring ingredient

1-(2,4-Dihydroxyphenyl)-1-butanone

1-Butanone,1-(2,4-dihydroxyphenyl)-

1-(2,4-Dihydroxyphenyl)-1-butanone is a preservative for foo

2',4'-Dimethylacetophenone

1-(2,4-Dimethylphenyl)ethanone, 9ci

C10H12O (148.0888)

2,4-Dimethylacetophenone is found in tea. 2,4-Dimethylacetophenone is a flavouring ingredien Flavouring ingredient. 2,4-Dimethylacetophenone is found in tea. 2',4'-Dimethylacetophenone is an endogenous metabolite. 2',4'-Dimethylacetophenone is an endogenous metabolite.

Silica aerogel

1-(4-Methoxyphenyl)-2-[(6-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulphanyl}pyrimidin-4-yl)sulphanyl]ethan-1-one

C23H22N2O3S2 (438.1072)

Silica aerogel is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

2'-Methoxyacetophenone

ethanone, 1-(2-methoxyphenyl)-

2-Methoxyacetophenone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

1-Phenyl-1,3-dodecanedione

C18H26O2 (274.1933)

1-Phenyl-1,3-dodecanedione is found in fats and oils. 1-Phenyl-1,3-dodecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-dodecanedione is found in fats and oils.

1-Phenyl-1,3-pentadecanedione

1-phenylpentadecane-1,3-dione

C21H32O2 (316.2402)

1-Phenyl-1,3-pentadecanedione is found in fats and oils. 1-Phenyl-1,3-pentadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-pentadecanedione is found in fats and oils.

1-Phenyl-1,3-hexadecanedione

1-phenylhexadecane-1,3-dione

C22H34O2 (330.2559)

1-Phenyl-1,3-hexadecanedione is found in fats and oils. 1-Phenyl-1,3-hexadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-hexadecanedione is found in fats and oils.

1-Phenyl-1,3-heptadecanedione

1-phenylheptadecane-1,3-dione

C23H36O2 (344.2715)

1-Phenyl-1,3-heptadecanedione is found in fats and oils. 1-Phenyl-1,3-heptadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-heptadecanedione is found in fats and oils.

1-Phenyl-1,3-octadecanedione

C24H38O2 (358.2872)

1-Phenyl-1,3-octadecanedione is found in fats and oils. 1-Phenyl-1,3-octadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-octadecanedione is found in fats and oils.

1-Phenyl-1,3-nonadecanedione

1-phenylnonadecane-1,3-dione

C25H40O2 (372.3028)

1-Phenyl-1,3-nonadecanedione is found in fats and oils. 1-Phenyl-1,3-nonadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-nonadecanedione is found in fats and oils.

1-Phenyl-1,3-heneicosanedione

C27H44O2 (400.3341)

1-Phenyl-1,3-heneicosanedione is found in fats and oils. 1-Phenyl-1,3-heneicosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-heneicosanedione is found in fats and oils.

1-Phenyl-1,3-docosanedione

1-phenyldocosane-1,3-dione

C28H46O2 (414.3498)

1-Phenyl-1,3-docosanedione is found in fats and oils. 1-Phenyl-1,3-docosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-docosanedione is found in fats and oils.

1-(2,4,5-Trihydroxyphenyl)-1-butanone

5,6,7,8-Tetrahydrobiopterin, (S-(r*,s*))-isomer

Antioxidant, especially for fats and oils. Potential food packaging migration residue. Antioxidant, especies for fats and oils. Potential food packaging migration residue

3xi-4-Copanol

1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]decan-3-ol

C15H26O (222.1984)

3xi-4-Copanol is found in herbs and spices. 3xi-4-Copanol is a constituent of Ocimum americanum (wild basil).

Ethyl 3-oxo-3-phenylpropanoate

Benzenepropanoic acid, beta-oxo-, ethyl ester

C11H12O3 (192.0786)

Ethyl 3-oxo-3-phenylpropanoate is a flavouring ingredient. Flavouring ingredient

2,4-Dihydroxyacetophenone 5-sulfate

(2-Acetyl-5-hydroxyphenyl)oxidanesulphonic acid

C8H8O6S (232.0042)

2,4-Dihydroxyacetophenone 5-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

2-Hydroxy-4-methoxyacetophenone 5-sulfate

(5-Acetyl-4-hydroxy-2-methoxyphenyl)oxidanesulphonic acid

C9H10O7S (262.0147)

2-Hydroxy-4-methoxyacetophenone 5-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

4-Hydroxy-3-methylacetophenone

1-(4-hydroxy-3-methylphenyl)ethan-1-one

4-Hydroxy-3-methylacetophenone belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2]. 4'-Hydroxy-3'-methylacetophenone, a phenolic volatile compound, is isolated from Hawaiian green coffee beans (Coffea Arabica L.). 4'-Hydroxy-3'-methylacetophenone has potent antioxidant activities. 4'-Hydroxy-3'-methylacetophenone also can be used to synthesize heterocyclic compounds which have antimycobacterial activity[1][2].

p-Ethylacetophenone

1-(4-ethylphenyl)ethan-1-one

C10H12O (148.0888)

P-ethylacetophenone, also known as 1-(4-ethylphenyl)ethanone, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. P-ethylacetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylacetophenone can be found in tea, which makes P-ethylacetophenone a potential biomarker for the consumption of this food product. P-ethylacetophenone exists in all eukaryotes, ranging from yeast to humans. p-Ethylacetophenone belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure

Clozapine glucuronide

(2R,3R,4R,5S,6S)-6-[6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C24H27ClN4O6 (502.1619)

Clozapine glucuronide is a metabolite of clozapine. Clozapine (sold as Clozaril, Gen-Clozapine in Canada, Azaleptin, Leponex, Fazaclo, Froidir; Denzapine, Zaponex in the UK; Klozapol in Poland, Clopine in Australia and New Zealand) is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also used off-label in the treatment of bipolar disorder. Wyatt. R and Chew. (Wikipedia)

Haloperidol 1,2,3,6-tetrahydropyridine

4(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine hydrochloride

C21H21ClFNO (357.1296)

Haloperidol 1,2,3,6-tetrahydropyridine is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)

desmethylcyclobenzaprine

methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}propyl)amine

C19H19N (261.1517)

desmethylcyclobenzaprine is a metabolite of cyclobenzaprine. Cyclobenzaprine, brand name Flexeril, is a muscle relaxant medication used to relieve skeletal muscle spasms and associated pain in acute musculoskeletal conditions. It is the most well-studied drug for this application, and it also has been used off-label for fibromyalgia treatment. A new bedtime formulation of cyclobenzaprine is under development for the management of fibromyalgia syndrome. (Wikipedia)

fluorobenzoylpropionic acid

4-(3,4-difluorophenyl)-4-oxobutanoic acid

C10H8F2O3 (214.0441)

fluorobenzoylpropionic acid is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)

4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+)

(4-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,4-dihydropyridin-4-ylidene}cyclohexa-2,5-dien-1-ylidene)-lambda3-chloranylium

C21H18ClFNO+ (354.1061)

4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+) is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)

N-Acetyl-5-methoxykynuramine

Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

C12H16N2O3 (236.1161)

N-Acetyl-5-methoxykynuramine (AMK) is a melatonin metabolite. Its direct precursor, acetyl-N-formyl-5-methoxykynurenamine (AFMK), is a product of melatonin metabolization in the brain (PMID: 23963910). AMK is a potent scavenger of several reactive oxygen species (ROS) such as hydroxyl, peroxyl, and carbonate radicals as well as the non-radical singlet oxygen (PMID: 14599344, 18643875).

N-Octyl phenyl ketone

C15H22O (218.1671)

N-Octyl phenyl ketone is classified as a member of the alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. N-Octyl phenyl ketone is considered to be practically insoluble (in water) and relatively neutral.

N-Acetylkynurenine

alpha-(Acetylamino)-2-amino-gamma-oxobenzenebutanoic acid

C12H14N2O4 (250.0954)

N-Acetylkynurenine (CAS: 2044-53-3) belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. N-Acetylkynurenine has been identified in urine (PMID: 6051633).

(2R)-2-(Tert-butylamino)-1-(3-chlorophenyl)-3-hydroxypropan-1-one

C13H18ClNO2 (255.1026)

pimaricin

22-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0⁵,⁷]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

C33H47NO13 (665.3047)

(3-Nitrobenzoyl)alanine

2-azaniumyl-4-(3-nitrophenyl)-4-oxobutanoate

C10H10N2O5 (238.059)

Methoxyphedrine

1-(4-methoxyphenyl)-2-(methylamino)propan-1-one

C11H15NO2 (193.1103)

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist

4'-(Imidazol-1-yl)acetophenone

1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-one

C11H10N2O (186.0793)

4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl

1-{[1,1-biphenyl]-4-yl}-3-[bis(2-chloroethyl)amino]propan-1-one

C19H21Cl2NO (349.1)

D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds

1-(3-Methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

3-(3-methylphenyl)-1-{1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea

C32H28N4O3 (516.2161)

alpha-Pyrrolidinovalerophenone

1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one

C15H21NO (231.1623)

2-Aminopropiophenone

Cathinone hydrochloride, (+-)-isomer

C9H11NO (149.0841)

D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs

2-Chloroacetophenone

2-chloro-1-phenylethan-1-one

C8H7ClO (154.0185)

2-Methoxyphenylmetyrapone

1-(2-methoxyphenyl)-2-methyl-2-(pyridin-3-yl)propan-1-one

C16H17NO2 (255.1259)

3-(4-Fluorobenzoyl)propionic acid

(18F)-beta-(4-Fluorobenzoyl)propionic acid

C10H9FO3 (196.0536)

3-Fluoromethcathinone

1-(3-fluorophenyl)-2-(methylamino)propan-1-one

C10H12FNO (181.0903)

3-Methylmethcathinone

2-(methylamino)-1-(3-methylphenyl)propan-1-one

C11H15NO (177.1154)

3-N-(2-Fluoroethyl)spiperone

3-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C25H29F2N3O2 (441.2228)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals

3-N-Methylspiperone

8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H28FN3O2 (409.2165)

D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists

3'-Chloroacetophenone

1-(3-chlorophenyl)ethan-1-one

C8H7ClO (154.0185)

D009676 - Noxae > D012304 - Riot Control Agents, Chemical > D013665 - Tear Gases D009676 - Noxae > D007509 - Irritants

N-[1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide

C11H12N2O5 (252.0746)

Ethanone, 1-(4-butylphenyl)-

1-(4-butylphenyl)ethan-1-one

C12H16O (176.1201)

4-(3-Benzoylpropionyl)morpholine

1-(morpholin-4-yl)-4-phenylbutane-1,4-dione

C14H17NO3 (247.1208)

(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid

C10H11ClN2O3 (242.0458)

1-(3-Chloro-4-hydroxyphenyl)-2-((1,1-dimethylethyl)amino)-1-propanone

C13H18ClNO2 (255.1026)

4-Methylethcathinone

2-(ethylamino)-1-(4-methylphenyl)propan-1-one

C12H17NO (191.131)

D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants

4-Aminoacetophenone

1-(4-aminophenyl)ethan-1-one

C8H9NO (135.0684)

4'-Aminopropiophenone

1-(4-aminophenyl)propan-1-one

C9H11NO (149.0841)

2,2,2-Trifluoroacetophenone

2,2,2-trifluoro-1-phenylethan-1-one

C8H5F3O (174.0292)

7-(3-((3-Acetylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

7-{3-[(3-acetylphenoxy)methyl]-1,5-dimethyl-1H-pyrazol-4-yl}-3-[3-(naphthalen-1-yloxy)propyl]-1H-indole-2-carboxylic acid

C36H33N3O5 (587.242)

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone

2-Methyl-1-[4-(methylsulphanyl)phenyl]-2-(morpholin-4-yl)propan-1-one

C15H21NO2S (279.1293)

2-(4-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid

C22H26O7 (402.1678)

L-165041 is a cell permeable PPARδ agonist, with Kis of 6 nM and appr 730 nM for PPARδ and PPARγ, respectively, and induces adipocyte differentiation in NIH-PPARδ cells.

1-Hydroxycyclohexyl phenyl ketone

C13H16O2 (204.115)

D009676 - Noxae > D009153 - Mutagens

2-(4-Nitrophenoxy)-1-(4-phenylphenyl)ethanone

1-{[1,1-biphenyl]-4-yl}-2-(4-nitrophenoxy)ethan-1-one

C20H15NO4 (333.1001)

Acetildenafil

1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-D)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate

C25H34N6O3 (466.2692)

Acetophenone, 4'-hydroxy-3'-methoxy-2-(2-piperidyl)-

1-(4-hydroxy-3-methoxyphenyl)-2-(piperidin-2-yl)ethan-1-one

C14H19NO3 (249.1365)

4H-Pyrido(1,2-a)pyrimidin-4-one, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-3-(1H-tetrazol-5-yl)-

9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

C21H20N6O4 (420.1546)

Azaperone

1-(4-fluorophenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one

C19H22FN3O (327.1747)

BENPERIDOL

1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]butan-1-one

C22H24FN3O2 (381.1852)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist

benzoyl-l-arg

2-amino-2-benzoyl-5-[(diaminomethylidene)amino]pentanoic acid

C13H18N4O3 (278.1379)

Buflomedil

4-(pyrrolidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one

C17H25NO4 (307.1783)

C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor

Butofilolol

1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl}butan-1-one

C17H26FNO3 (311.1897)

Butyrophenone

1-Phenylbutan-1-one

C10H12O (148.0888)

Butyrophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Butyrophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Butyrophenone has a cherry taste. Examples of butyrophenones include: Haloperidol, the most widely used classical antipsychotic drug in this class Benperidol, the most potent commonly used antipsychotic ( 200 times more potent than chlorpromazine) . C78272 - Agent Affecting Nervous System > C323 - Butyrophenone

Centpropazine

1-{4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}propan-1-one

C22H28N2O3 (368.21)

Chlorohaloperidol

1-(3-(4-Chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine hydrochloride

C21H23Cl2NO2 (391.1106)

Ciproxifan

Cyclopropyl-(4-(3-1H-imidazol-4-yl)propyloxyphenyl)ketone

C16H18N2O2 (270.1368)

D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

Clephedrone

1-(4-chlorophenyl)-2-(methylamino)propan-1-one

C10H12ClNO (197.0607)

Cytosporone B

Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetic acid

C18H26O5 (322.178)

Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.

Darglitazone

4-hydroxy-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methyl)-2,5-dihydro-1,3-thiazol-2-one

C23H20N2O4S (420.1144)

C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Darglitazone (CP-86325), a thiazolidinedione, is a potent, selective, and orally active PPAR-γ agonist. Darglitazone is effective in controlling blood glucose and lipid metabolism, and can be used for type II diabetes research[1].

Dehydrochloramphenicol

2,2-dichloro-N-[3-hydroxy-1-(4-nitrophenyl)-1-oxopropan-2-yl]acetamide

C11H10Cl2N2O5 (319.9967)

Diacetolol

RS-1-(4-acetamido-2-Acetylphenoxy)-2-hydroxy-3-isopropylaminopropane hydrochloride

C16H24N2O4 (308.1736)

Diapocynin

1-{5-acetyl-2,6-dihydroxy-3,5-dimethoxy-[1,1-biphenyl]-3-yl}ethan-1-one

C18H18O6 (330.1103)

Dictyostelium

1-((3,5-Dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone

C13H16Cl2O4 (306.0426)

Eperisone

1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one

C17H25NO (259.1936)

M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

Esonarimod

2-[(Acetylsulphanyl)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid

C14H16O4S (280.0769)

Endostatin

2-[methyl(nitroso)amino]-1-phenylethan-1-one

C9H10N2O2 (178.0742)

Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate

Ethyl 3-(4-fluorophenyl)-3-oxopropanoic acid

C11H11FO3 (210.0692)

Fenbufen

gamma-oxo(1,1-Biphenyl)-4-butanoic acid

C16H14O3 (254.0943)

M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

Firuglipel

4-{5-[1-(4-cyclopropanecarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl}-2-fluoro-N-(1-hydroxypropan-2-yl)benzene-1-carboximidate

C25H26FN3O5 (467.1856)

Flephedrone

1-(4-fluorophenyl)-2-(methylamino)propan-1-one

C10H12FNO (181.0903)

Flobufen

4-{2,4-difluoro-[1,1-biphenyl]-4-yl}-2-methyl-4-oxobutanoic acid

C17H14F2O3 (304.0911)

Fluanisone

1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

C21H25FN2O2 (356.19)

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid

7-((3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxyl))-4-oxo-8-propyl-4H-chromene-2-carboxy Late, sodium salt

C27H30O9 (498.189)

3-[7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid

3-{7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-chromen-2-yl}propanoic acid

C29H34O9 (526.2203)

gamma-Glutamyl-N'-(2-hydroxyphenyl)hydrazide

4-Amino-5-{4-hydroxy-3-[4-(2-hydroxyphenyl)tetraazan-1-yl]phenyl}-N-(2-hydroxyphenyl)-5-oxopentanehydrazonate

C23H27N7O5 (481.2074)

Haloperidol decanoate

4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl decanoic acid

C31H41ClFNO3 (529.2759)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist

Iloperidone

1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone

C24H27FN2O4 (426.1955)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Iloperidone (HP 873) is a D2/5-HT2 receptor antagonist. Iloperidone is an atypical antipsychotic for the schizophrenia symptoms[1][2].

Iralukast

7-{[10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulphanyl}-4-oxo-4H-chromene-2-carboxylic acid

C38H37F3O8S (710.2161)

Lumateperone

1-(4-fluorophenyl)-4-{4-methyl-1,4,12-triazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16)-trien-12-yl}butan-1-one

C24H28FN3O (393.2216)

N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

Ketocaine

1-(2-(2-(Bis(1-methylethyl)amino)ethoxy)phenyl)-1-butanone

C18H29NO2 (291.2198)

C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

Benzenebutanoic acid, 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)thio)-gamma-hydroxy-beta-methyl-, (R,S)-

Benzenebutanoic acid, 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)thio)-gamma-hydroxy-beta-methyl-, (R*,S*)-

C25H32O6S (460.1919)

Lenperone

4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

C22H23F2NO2 (371.1697)

C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent

Inflatine

2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethan-1-one

C22H27NO2 (337.2042)

D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D005731 - Ganglionic Stimulants D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D019141 - Respiratory System Agents

Loviride

2-[(2-acetyl-5-methylphenyl)amino]-2-(2,6-dichlorophenyl)acetamide

C17H16Cl2N2O2 (350.0589)

C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent

Malabaricone B

1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one

C21H26O4 (342.1831)

Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3]. Malabaricone B, a naturally occurring plant phenolic, is an orally active α-glucosidase inhibitor with an IC50 of 63.7 μM. Malabaricone B has anticancer, antimicrobial, anti-oxidation and antidiabetic activities[1][2][3].

Melperone

1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one

C16H22FNO (263.1685)

1-(5-Cyanopyridin-2-yl)-3-((1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl)urea

C19H17FN4O3 (368.1285)

Moperone

1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one

C22H26FNO2 (355.1947)

N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

N-(4-Acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

N-(4-Acetylphenyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)acetamide

C27H29N5O5 (503.2169)

D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists MRS-1706 is a potent and selective adenosine A2B receptor inverse agonist. MRS-1706 has Ki values of 1.39, 112, 157, and 230 nM for human A2B, A2A, A1 and A3 receptors respectively. MRS-1706 blocks adenosine-mediated cAMP induction[1][2].

Myofedrin

3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-methoxyphenyl)propan-1-one

C19H23NO3 (313.1678)

D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents

Myrtucommulone A

5-hydroxy-2,2,6,6-tetramethyl-4-(2-methyl-1-{2,4,6-trihydroxy-3-[1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohex-1-en-1-yl)-2-methylpropyl]-5-(2-methylpropanoyl)phenyl}propyl)cyclohex-4-ene-1,3-dione

C38H52O10 (668.356)

N-[5-[2-(3-Acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-(5-{2-[(3-acetylphenyl)amino]-1,3-thiazol-4-yl}-4-methyl-1,3-thiazol-2-yl)benzamide

C22H18N4O2S2 (434.0871)

Normephedrone

2-amino-1-(4-methylphenyl)propan-1-one

C10H13NO (163.0997)

O-(N-Phthalimido)acetophenone

2-(2-acetylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

C16H11NO3 (265.0739)

Pentedrone

2-(methylamino)-1-phenylpentan-1-one

C12H17NO (191.131)

Phenyl(piperidin-4-yl)methanone

phenyl(piperidin-4-yl)methanone

C12H15NO (189.1154)

pifithrin

Ethanone, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)-, hydrobromide (1:1)

C16H18N2OS (286.114)

Pipamperone

1-[4-(4-fluorophenyl)-4-oxobutyl]-[1,4-bipiperidine]-4-carboxamide

C21H30FN3O2 (375.2322)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Pipamperone (Floropipamide; McN-JR 3345; R 3345) is a high-affinity antagonist of 5-HT2A receptor (pKi=8.2) and D4 receptor (pKi=8.0) and a low-affinity antagonist of D2 receptor (pKi=6.7)[1].

Pirenperone

3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

C23H24FN3O2 (393.1852)

2-[2-(2-Butoxy-2-oxoethoxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]phenoxy]acetic acid

C24H28N2O8S (504.1566)

Protoveratrine

16,17-bis(acetyloxy)-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2-methylbutanoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 2-hydroxy-2-methylbutanoate

C41H63NO14 (793.4248)

D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D011526 - Protoveratrines

Centroton

1-(4-methylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one

C16H23NO (245.178)

(4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-acetyl}-2-carboxymethoxy-phenoxy)-acetic acid

2-(5-{2-[1-(4-carbamimidoylphenyl)-N-methylformamido]acetyl}-2-(carboxymethoxy)phenoxy)acetic acid

C21H21N3O8 (443.1329)

N-(5-(5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl)-2,4-dimethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-[5-(5-{2,4-dihydroxy-1,3,8-triazaspiro[4.5]deca-1,3-dien-8-yl}pentanoyl)-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzene-1-sulphonamide

C27H31F3N4O7S (612.1865)

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

S-Methyl-KE-298

4-(4-Methylphenyl)-2-[(methylsulphanyl)methyl]-4-oxobutanoic acid

C13H16O3S (252.082)

BioMed 101

7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

C28H36O7 (484.2461)

D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

1-(2,4-Dihydroxyphenyl)-2-hydroxyethanone

1-(2,4-dihydroxyphenyl)-2-hydroxyethan-1-one

C8H8O4 (168.0423)

(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid

4-(2-Aminophenyl)-2-[(hydroxymethylidene)amino]-4-oxobutanoate

C11H12N2O4 (236.0797)

(1R,2R,3S,5S)-3-Hydroxy-4-(4-hydroxybenzoyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C16H19NO5 (305.1263)

4,5Dimethyl-3-(2-oxo-2-phenyl-ethyl)-thiazole

2-(4,5-dimethyl-2,3-dihydro-1,3-thiazol-3-yl)-1-phenylethan-1-one

C13H15NOS (233.0874)

Setoperone

6-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H24FN3O2S (401.1573)

Sulfoglucuronyl paragloboside

6-{[2-({6-[(2-{[4,5-dihydroxy-6-({3-hydroxy-2-[(1-hydroxyethylidene)amino]octadec-4-en-1-yl}oxy)-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,5-dihydroxy-4-(sulphooxy)oxane-2-carboxylic acid

C52H90N2O32S (1286.5197)

spiperone

1-[2-[4-[5-Chloro-1-(4-fluorophenyl)-indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one

C23H26FN3O2 (395.2009)

Tebufelone

1-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-5-hexyn-1-one

C20H28O2 (300.2089)

timiperone

1-(4-Fluorophenyl)-4-[4-(2-sulphanyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]butan-1-one

C22H24FN3OS (397.1624)

trichostatin A

N-Hydroxy7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienimidate

C17H22N2O3 (302.163)

Trifluperidol

1-(4-fluorophenyl)-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one

C22H23F4NO2 (409.1665)

trihydroxybutyrophenone

5,6,7,8-Tetrahydrobiopterin, (S-(r*,s*))-isomer

Vulgamycin

2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

C22H20O10 (444.1056)

4-Hydroxy-5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methyl)-2,3-dihydro-1,3-thiazol-2-one

C23H20N2O4S (420.1144)

3'-Methoxyacetophenone

1-(3-methoxyphenyl)ethan-1-one

3-methoxyacetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 3-methoxyacetophenone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methoxyacetophenone can be found in sesame, which makes 3-methoxyacetophenone a potential biomarker for the consumption of this food product.

1-(3,4-Dimethoxyphenyl)ethanone

1-(3,4-dimethoxyphenyl)ethan-1-one

1-(3,4-dimethoxyphenyl)ethanone, also known as 3,4-dimethoxyacetophenone, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1-(3,4-dimethoxyphenyl)ethanone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 1-(3,4-dimethoxyphenyl)ethanone is a sweet, floral, and woody tasting compound found in oat and tea, which makes 1-(3,4-dimethoxyphenyl)ethanone a potential biomarker for the consumption of these food products.

Chakanoside I

1-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethan-1-one

C14H18O7 (298.1052)

Chakanoside i is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Chakanoside i is soluble (in water) and a very weakly acidic compound (based on its pKa). Chakanoside i can be found in tea, which makes chakanoside i a potential biomarker for the consumption of this food product.

1,3-Diacetylbenzene

1-(3-acetylphenyl)ethan-1-one

C10H10O2 (162.0681)

1,3-diacetylbenzene is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1,3-diacetylbenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1,3-diacetylbenzene can be found in tea, which makes 1,3-diacetylbenzene a potential biomarker for the consumption of this food product.

1,4-Diacetylbenzene

1-(4-acetylphenyl)ethan-1-one

C10H10O2 (162.0681)

1,4-diacetylbenzene is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1,4-diacetylbenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 1,4-diacetylbenzene can be found in tea, which makes 1,4-diacetylbenzene a potential biomarker for the consumption of this food product.

2,4-Dimethylpropiophenone

1-(2,4-dimethylphenyl)propan-1-one

2,4-dimethylpropiophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2,4-dimethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-dimethylpropiophenone can be found in tea, which makes 2,4-dimethylpropiophenone a potential biomarker for the consumption of this food product.

p-Ethylpropiophenone

1-(4-ethylphenyl)propan-1-one

P-ethylpropiophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. P-ethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylpropiophenone can be found in tea, which makes P-ethylpropiophenone a potential biomarker for the consumption of this food product.

Quercetin 7-O-beta-D-glucopyranoside-beta-L-rhamnopyranoside

7-{[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-chromen-4-one

C27H30O16 (610.1534)

Quercetin 7-o-beta-d-glucopyranoside-beta-l-rhamnopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 7-o-beta-d-glucopyranoside-beta-l-rhamnopyranoside can be found in capers, which makes quercetin 7-o-beta-d-glucopyranoside-beta-l-rhamnopyranoside a potential biomarker for the consumption of this food product.

4-(3-Methyl-2-butenoxy)-acetophenone

1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethan-1-one

C13H16O2 (204.115)

4-(3-methyl-2-butenoxy)-acetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-(3-methyl-2-butenoxy)-acetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-acetophenone can be found in lemon, which makes 4-(3-methyl-2-butenoxy)-acetophenone a potential biomarker for the consumption of this food product.

Propiovanillone

1-(4-hydroxy-3-methoxyphenyl)propan-1-one