Classification Term: 3296

Benzenebutanoic acid (also known as 4-phenylbutyrate, or 4-PBA) is the oral form of butyrate, which is known to be a transcriptional regulator. Sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia. Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER (endoplasmic reticulum) environment (PMID 12458151). 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking (PMID 16798551). 4-phenylbutyrate (4-PBA) is known to be a transcriptional regulator, and sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER environment. 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking. (PMID 12458151) [HMDB] C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents

Oxybutynin

Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester

C22H31NO3 (357.2303816)

Oxybutynin is an anticholinergic medication used to relieve urinary and bladder difficulties, including frequent urination and inability to control urination, by decreasing muscle spasms of the bladder. It competitively antagonizes the M1, M2, and M3 subtypes of the muscarinic acetylcholine receptor. G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3025 Oxybutynin is an anticholinergic agent, which inhibits vascular Kv channels in a concentration-dependent manner, with an IC50 of 11.51 μM[1]. Oxybutynin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Phenylacetic acid

Phenylacetic acid, sodium salt , carboxy-(11)C-labeled CPD

C8H8O2 (136.0524268)

Phenylacetic acid, also known as phenylacetate or alpha-toluic acid, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Phenylacetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Phenylacetic acid can be synthesized from acetic acid. Phenylacetic acid is also a parent compound for other transformation products, including but not limited to, hydratropic acid, 2,4,5-trihydroxyphenylacetic acid, and mandelamide. Phenylacetic acid is a sweet, civet, and floral tasting compound and can be found in a number of food items such as hyssop, cowpea, endive, and shea tree, which makes phenylacetic acid a potential biomarker for the consumption of these food products. Phenylacetic acid can be found primarily in most biofluids, including cerebrospinal fluid (CSF), saliva, feces, and blood. Phenylacetic acid exists in all living species, ranging from bacteria to humans. In humans, phenylacetic acid is involved in the phenylacetate metabolism. Moreover, phenylacetic acid is found to be associated with kidney disease and phenylketonuria. Phenylacetic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phenylacetic acid is a drug which is used for use as adjunctive therapy for the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle. Phenyl acetate (or phenylacetate) is a carboxylic acid ester that has been found in the biofluids of patients with nephritis and/or hepatitis as well as patients with phenylketonuria (PKU), an inborn error of metabolism. Phenyl acetate has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Excess phenylalanine in the body can be disposed of through a transamination process leading to the production of phenylpyruvate. The phenylpyruvate can be further metabolized into a number of products. Decarboxylation of phenylpyruvate gives phenylacetate, while a reduction reaction gives phenyllactate. The phenylacetate can be further conjugated with glutamine to give phenylacetyl glutamine. All of these metabolites can be detected in serum and urine of PKU patients. Phenyl acetate is also produced endogenously as the metabolite of 2-Phenylethylamine, which is mainly metabolized by monoamine oxidase to form phenyl acetate. 2-phenylethylamine is an "endogenous amphetamine" which may modulate central adrenergic functions, and the urinary phenyl acetate levels have been postulated as a marker for depression. (PMID: 17978765 , 476920 , 6857245). Phenylacetate is also found in essential oils, e.g. neroli, rose oil, free and as esters and in many fruits. As a result it is used as a perfumery and flavoring ingredient. Phenyl acetate is a microbial metabolite. D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

Pemoline

2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-one

C9H8N2O2 (176.0585748)

N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant

Phenelzine

Warner chilcott brand OF phenelzine sulfate

C8H12N2 (136.1000432)

Phenelzine is only found in individuals that have used or taken this drug. It is an irreversible non-selective inhibitor of monoamine oxidase. May be used to treat major depressive disorder.Although the exact mechanism of action has not been determined, it appears that the irreversible, nonselective inhibition of MAO by phenelzine relieves depressive symptoms by causing an increase in the levels of serotonin, norepinephrine, and dopamine in the neuron. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

2-Phenylethyl acetate

Acetic acid beta -phenylethyl ester

2-Phenylethyl acetate, also known as 2-phenethyl acetic acid or benzylcarbinyl acetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 2-Phenylethyl acetate is a sweet, floral, and fruity tasting compound. 2-Phenylethyl acetate is found, on average, in the highest concentration within ceylon cinnamons and cloves. 2-Phenylethyl acetate has also been detected, but not quantified, in several different foods, such as butternuts, eggplants, turmerics, radish (var.), and pili nuts. This could make 2-phenylethyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-phenylethanol. Flavouring ingredient. 2-Phenylethyl acetate is found in many foods, some of which are acerola, prickly pear, summer grape, and sweet orange.

Benzamidine

Benzamidine hydrochloride hydrate

C7H8N2 (120.06874479999999)

D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 2169 KEIO_ID B004

Tolazoline

Ciba vision brand OF tolazoline hydrochloride

C10H12N2 (160.1000432)

A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn. [PubChem] M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AB - Imidazoline derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

2-Phenylethanol

Phenethyl alcohol, 8ci, ban

C8H10O (122.07316100000001)

2-Phenylethanol, also known as benzeneethanol or benzyl carbinol, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 2-Phenylethanol exists in all living species, ranging from bacteria to humans. 2-Phenylethanol is a bitter, floral, and honey tasting compound. 2-Phenylethanol is found, on average, in the highest concentration within a few different foods, such as red wines, black walnuts, and white wines and in a lower concentration in grape wines, sweet basils, and peppermints. 2-Phenylethanol has also been detected, but not quantified, in several different foods, such as asparagus, allspices, fruits, horned melons, and lemons. 2-Phenylethanol, with regard to humans, has been found to be associated with several diseases such as ulcerative colitis, pervasive developmental disorder not otherwise specified, and autism. 2-phenylethanol has also been linked to the inborn metabolic disorder celiac disease. A primary alcohol that is ethanol substituted by a phenyl group at position 2. Flavouring ingredient. Component of ylang-ylang oil. 2-Phenylethanol is found in many foods, some of which are hickory nut, arrowhead, allspice, and nance. C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents D010592 - Pharmaceutic Aids D004202 - Disinfectants 2-Phenylethanol (Phenethyl alcohol), extracted from rose, carnation, hyacinth, Aleppo pine, orange blossom and other organisms, is a colourless liquid. It has a pleasant floral odor and also an autoantibiotic produced by the fungus Candida albicans[1]. It is used as an additive in cigarettes and also used as a preservative in soaps due to its stability in basic conditions. 2-Phenylethanol (Phenethyl alcohol), extracted from rose, carnation, hyacinth, Aleppo pine, orange blossom and other organisms, is a colourless liquid. It has a pleasant floral odor and also an autoantibiotic produced by the fungus Candida albicans[1]. It is used as an additive in cigarettes and also used as a preservative in soaps due to its stability in basic conditions.

Butylbenzene

1-Butylbenzene

C17H25NO3 (291.18343400000003)

Butylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

Mandelonitrile

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

C8H7NO (133.0527612)

Mandelonitrile is a chemical compound of the cyanohydrin class. Small amounts of mandelonitrile occur in the pits of some fruits. (Wikipedia)

Dimethylaniline-N-oxide

Dimethylaniline N-oxide hydrochloride

C8H11NO (137.0840596)

Dimethylaniline-N-oxide is a substrate for Dimethylaniline monooxygenase 4, Dimethylaniline monooxygenase 3, Dimethylaniline monooxygenase 1, Dimethylaniline monooxygenase 5, Putative dimethylaniline monooxygenase 6 and Dimethylaniline monooxygenase 2. [HMDB]. Dimethylaniline-N-oxide is found in many foods, some of which are lemon thyme, star anise, chinese mustard, and gooseberry. Dimethylaniline-N-oxide is a substrate for Dimethylaniline monooxygenase 4, Dimethylaniline monooxygenase 3, Dimethylaniline monooxygenase 1, Dimethylaniline monooxygenase 5, Putative dimethylaniline monooxygenase 6 and Dimethylaniline monooxygenase 2.

Benzene

1,2,3,5-tetradeuteriobenzene

C6H6 (78.0469476)

Benzene is an organic chemical compound with the molecular formula C6H6. The benzene molecule is composed of six carbon atoms joined in a planar ring with one hydrogen atom attached to each. Because it contains only carbon and hydrogen atoms, benzene is classed as a hydrocarbon. Benzene, also known as benzol or [6]annulene, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene is a natural constituent of crude oil and is one of the elementary petrochemicals. Due to the cyclic continuous pi bonds between the carbon atoms, benzene is classed as an aromatic hydrocarbon. It is sometimes abbreviated PhH. Benzene is a colorless and highly flammable liquid with a sweet smell, and is partially responsible for the aroma around petrol (gasoline) stations. It is used primarily as a precursor to the manufacture of chemicals with more complex structure, such as ethylbenzene and cumene, of which billions of kilograms are produced annually. Although a major industrial chemical, benzene finds limited use in consumer items because of its toxicity. Benzene is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Benzene has been found to be associated with several diseases such as autism and pervasive developmental disorder not otherwise specified. It is used in processing of modified hop extract

Styrene Oxide

Styrene oxide, (+-)-isomer

C8H8O (120.0575118)

Styrene Oxide, also known as Epoxystyrene or Phenyloxirane, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. Styrene Oxide is considered to be slightly soluble (in water) and basic D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

Phenylmethylsulfonyl fluoride

Fluoride, benzenemethanesulfonyl

C7H7FO2S (174.0150774)

Component of corn gluten (Zea mays). obtained comly. by extraction of corn gluten with alkaline aq. 2-propanol. Moisture control agent. It is used in edible coatings for nuts and other foods and as a binder in confectionery glazes. GRAS approved D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors

Nitrosobenzene

Nitrosobenzene, 14C-labeled

C6H5NO (107.03711200000001)

Cyclopentolate

2-Phenyl-2-(1-hydroxycyclopentyl)ethanoic acid beta-(dimethylamino)ethyl ester

Cyclopentolate is only found in individuals that have used or taken this drug. It is a parasympatholytic anticholinergic used solely to obtain mydriasis or cycloplegia. [PubChem]By blocking muscarinic receptors, cyclopentolate produces dilatation of the pupil (mydriasis) and prevents the eye from accommodating for near vision (cycloplegia). S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent

Ethylbenzene

alpha-Methyltoluene

C8H10 (106.07824600000001)

Ethyl benzene, also known as ethylbenzol or alpha-methyltoluene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Ethyl benzene can be found in black walnut and safflower, which makes ethyl benzene a potential biomarker for the consumption of these food products. Ethyl benzene can be found primarily in blood and feces. Ethyl benzene exists in all eukaryotes, ranging from yeast to humans. Ethyl benzene is formally rated as possibly a carcinogenic (IARC 2B) potentially toxic compound. Ethyl benzene is an organic compound with the formula C6H5CH2CH3. It is a highly flammable, colorless liquid with an odor similar to that of gasoline. This monocyclic aromatic hydrocarbon is important in the petrochemical industry as an intermediate in the production of styrene, the precursor to polystyrene, a common plastic material. In 2012, more than 99\\% of ethylbenzene produced was consumed in the production of styrene. Ethyl benzene is also used to make other chemicals, in fuel, and as a solvent in inks, rubber adhesives, varnishes, and paints. Ethyl benzene exposure can be determined by testing for the breakdown products in urine . Following oral exposure, a gastric lavage is recommended. Protect airway by placement in Trendelenburg and left lateral decubitus position or by endotracheal intubation. Control any seizures first. Following inhalation, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. In case of dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. Treat dermal irritation or burns with standard topical therapy. Patients developing dermal hypersensitivity reactions may require treatment with systemic or topical corticosteroids or antihistamines. Some chemicals can produce systemic poisoning by absorption through intact skin. Carefully observe patients with dermal exposure for the development of any systemic signs or symptoms and administer symptomatic treatment as necessary (T36) (T3DB). Ethylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

1-Phenylethanol

(1)-alpha-Methylbenzyl alcohol

C8H10O (122.07316100000001)

1-Phenylethanol is a flavouring agent. It is found in many foods, some of which are onion-family vegetables, herbs and spices, nuts, and fruits. (±)-1-Phenylethanol is a flavouring agent

O-Ethyl S,S-diphenyl phosphorodithioate

Phosphorodithioic acid, O-ethyl-S,S-diphenyl ester

C14H15O2PS2 (310.025106)

Rice fungicid

Mesitylene

1,3,5-Trimethylbenzene (mesitylene)

C9H12 (120.09389519999999)

Mesitylene or 1,3,5-trimethylbenzene is a derivative of benzene with three methyl substituents symmetrically placed on the ring. Isomeric trimethylbenzenes include hemimellitene (1,2,3-trimethylbenzene) and pseudocumene (1,2,4-trimethylbenzene). All three compounds have the formula C6H3(CH3)3, which is commonly abbreviated C6H3Me3. Mesitylene is a colourless liquid with sweet aromatic odor. It is a component of coal tar, which is its traditional source. It is a precursor to diverse fine chemicals. The mesityl group (Mes) is a substituent with the formula C6H3Me3.

1,2,4-Trimethylbenzene

1,2,4-Trimethylbenzene (pseudocumene)

C9H12 (120.09389519999999)

1,2,4-trimethylbenzene, also known as pseudocumene or psi-cumene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2,4-trimethylbenzene is a plastic tasting compound found in black walnut and corn, which makes 1,2,4-trimethylbenzene a potential biomarker for the consumption of these food products. 1,2,4-trimethylbenzene can be found primarily in urine. 1,2,4-trimethylbenzene exists in all eukaryotes, ranging from yeast to humans. 1,2,4-trimethylbenzene is a non-carcinogenic (not listed by IARC) potentially toxic compound. 1,2,4-Trimethylbenzene is a colorless liquid with chemical formula C9H12. It is a flammable aromatic hydrocarbon with a strong odor. It occurs naturally in coal tar and petroleum (about 3\\%). It is nearly insoluble in water, but well-soluble in ethanol, diethyl ether, and benzene.

1,2,4,5-Tetramethylbenzene

1,2,4,5-TETRAMETHYLBENZENE

Flavouring compound [Flavornet]

1,3,5-Triphenylcyclohexane

2(5)-Phenyl-2(1),2(2),2(3),2(4),2(5),2(6)-hexahydro-1(1),2(1):2(3),3(1)-terphenyl

C24H24 (312.1877904)

1,3,5-Triphenylcyclohexane is a packaging migration residue. Present as an impurity in polystyrene food containers and other products; liberated on heating. Packaging migration residue. Present as an impurity in polystyrene food containers and other products; liberated on heating

benzenecarbothioamide

Benzenecarboimidothioate

C7H7NS (137.0299182)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents

Thiobenzamide S-oxide

Phenyl(sulphinylidene)methanamine

C7H7NOS (153.02483320000002)

2-Phenyl-1,3-propanediol monocarbamate

3-(C-hydroxycarbonimidoyloxy)-2-phenylpropan-1-ol

C10H13NO3 (195.0895388)

2-Phenyl-1,3-propanediol monocarbamate is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)

3-Carbamoyl-2-phenylpropionic acid

3-(C-hydroxycarbonimidoyloxy)-2-phenylpropanoic acid

C10H11NO4 (209.0688046)

3-Carbamoyl-2-phenylpropionic acid is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)

4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one

C10H11NO3 (193.0738896)

4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)

5-Phenyl-1,3-oxazinane-2,4-dione

4-hydroxy-5-phenyl-5,6-dihydro-2H-1,3-oxazin-2-one

C10H9NO3 (191.0582404)

5-Phenyl-1,3-oxazinane-2,4-dione is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)

3-Phenylpropyl acetate

laquo gammaraquo -Phenylpropyl acetate

C20H18O2Sn (410.03287179999995)

3-Phenylpropyl acetate is found in alcoholic beverages. 3-Phenylpropyl acetate is a flavouring ingredient. 3-Phenylpropyl acetate is present in guava fruit and peel, melon, rum and cassia leaf. 3-Phenylpropyl acetate is a flavouring ingredient. It is found in many foods, some of which are chinese cinnamon, fruits, ceylon cinnamon, and alcoholic beverages.

5-Phenyl-1,3-pentadiyne

2,4-Pentadiynylbenzene, 9ci

C11H8 (140.0625968)

5-Phenyl-1,3-pentadiyne is found in herbs and spices. 5-Phenyl-1,3-pentadiyne is isolated from roots of Artemisia dracunculus (tarragon). Isolated from roots of Artemisia dracunculus (tarragon). 5-Phenyl-1,3-pentadiyne is found in herbs and spices.

Mandelic acid

(S)-alpha-Hydroxybenzeneacetic acid

C8H8O3 (152.0473418)

It is an isomer of cresotinic acid (2-hydroxy-3-methylbenzoic acid) and oxymethylbenzoic acid (2-methoxybenzoic acid). Derivatives of mandelic acid are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-o-methyl transferase. It is also present in certain skin care products, is an intermediate molecule in the production of other biochemicals, may be used as an analytical reagent and is a precursor in the manufacture of dyes. Mandelic acid is an aromatic alpha hydroxy acid with the molecular formula C8H8O3. It is a white crystalline solid that is soluble in water and most common organic solvents. Mandelic acid is found to be associated with phenylketonuria, which is an inborn error of metabolism. It is an isomer of cresotinic acid (2-hydroxy-3-methylbenzoic acid) and oxymethylbenzoic acid (2-methoxybenzoic acid). Derivatives of mandelic acid are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-o-methyl transferase. It is also present in certain skin care products, is an intermediate molecule in the production of other biochemicals, may be used as an analytical reagent and is a precursor in the manufacture of dyes. B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids Acquisition and generation of the data is financially supported in part by CREST/JST. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent KEIO_ID M057 Mandelic acid ((±)-Mandelic acid), an alpha-hydroxycarboxylic acid, has been widely used as an intermediate of pharmaceutical and fine chemicals. Mandelic acid shows antimicrobial activity and has been used for the research of urinary tract infections and vaginal trichomoniasis. Mandelic acid exhibits high sperm-immobilizing activity and low vaginal irritation[1][2].

(Acetyloxy)triphenylstannane

Benzaldehyde, m-nitro-, 3-thio-4-O-tolylsemicarbazone

D009676 - Noxae > D013723 - Teratogens D016573 - Agrochemicals Nonsystemic fungicid D010575 - Pesticides

Hemimellitene

1,2,3-TRIMETHYLBENZENE

C9H12 (120.09389519999999)

Hemimellitene, also known as hemellitol or 123-trimethylbenzene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Hemimellitene can be found in black walnut and corn, which makes hemimellitene a potential biomarker for the consumption of these food products. Hemimellitene can be found primarily in feces and saliva. Hemimellitene exists in all eukaryotes, ranging from yeast to humans. Hemimellitene is an organic compound with the chemical formula C6H3(CH3)3. Classified as an aromatic hydrocarbon, it is a flammable colorless liquid. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum. It is one of the three isomers of trimethylbenzene. It is used in jet fuel, mixed with other hydrocarbons, to prevent the formation of solid particles which might damage the engine . Hemimellitene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

beta-Elemonic acid

(2S)-6-methyl-2-[(5S,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

C30H46O3 (454.34467659999996)

beta-Elemonic acid is found in herbs and spices. beta-Elemonic acid is a constituent of elemi resin. beta-Elemonic acid is a flavouring agent beta-Elemonic acid is a natural product found in Ganoderma tsugae, Ganoderma lucidum, and Boswellia with data available. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2]. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2].

Physalin H

14-Chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacos-11-ene-4,10,22,29-tetrone

C28H31ClO10 (562.1605656)

Physalin H is a physalin. Physalin H is a natural product found in Alkekengi officinarum var. franchetii with data available. Physalin H is found in fruits. Physalin H is from the famine food Physalis angulata (cutleaf ground cherry).

Dibenzyl disulfide

InChI=1/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H

C14H14S2 (246.0536884)

Dibenzyl disulfide is an organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. It has a role as a metabolite. It is an organic disulfide and an organic aromatic compound. Dibenzyl disulfide is a natural product found in Petiveria alliacea with data available. An organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. Dibenzyl disulfide is a flavouring ingredien Flavouring ingredient Dibenzyl disulfide is an endogenous metabolite.

Isocarboxazid

N-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

C12H13N3O2 (231.10077180000002)

Isocarboxazid is only found in individuals that have used or taken this drug. It is an MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311). Isocarboxazid works by irreversibly blocking the action of a chemical substance known as monoamine oxidase (MAO) in the nervous system. MAO subtypes A and B are involved in the metabolism of serotonin and catecholamine neurotransmitters such as epinephrine, norepinephrine, and dopamine. Isocarboxazid, as a nonselective MAO inhibitor, binds irreversibly to monoamine oxidase–A (MAO-A) and monoamine oxidase–B (MAO-B). The reduced MAO activity results in an increased concentration of these neurotransmitters in storage sites throughout the central nervous system (CNS) and sympathetic nervous system. This increased availability of one or more monoamines is the basis for the antidepressant activity of MAO inhibitors. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

Benzenepropanenitrile

beta-Phenyl propionitrile

C9H9N (131.0734954)

Constituent of Brassica napus (rape seed) and Nasturtium officinale (water cress). Benzenepropanenitrile is found in brassicas, herbs and spices, and white mustard. Benzenepropanenitrile is found in brassicas. Benzenepropanenitrile is a constituent of Brassica napus (rape seed) and Nasturtium officinale (water cress)

1-Isothiocyanato-2-phenylethane

(2-Isothiocyanatoethyl)benzene, 9ci

C9H9NS (163.0455674)

1-Isothiocyanato-2-phenylethane, also known as 2-phenylethyl isothiocyanate (PEITC) or (2-isothiocyanatoethyl) benzene is an isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. It has a role as an antineoplastic agent, a metabolite and an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. PEITC is found in high concentrations in kohlrabis. In terms of biosynthesis, PEITC is produced from gluconasturtiin by the action of the enzyme myrosinase. PEITC has been used in trials studying the prevention and treatment of leukemia, lung cancer, tobacco use disorder, and lymphoproliferative disorders. Phenethyl isothiocyanate, also known as peitc or beta-phenylethyl isothiocyanic acid, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Phenethyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Phenethyl isothiocyanate is a bitter, gooseberry, and green tasting compound and can be found in a number of food items such as herbs and spices, brassicas, horseradish, and cabbage, which makes phenethyl isothiocyanate a potential biomarker for the consumption of these food products. Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate whose precursor, gluconasturtiin is found in some cruciferous vegetables, especially watercress . C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].

Oxyphenonium

{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium

C21H34NO3+ (348.2538554)

A quaternary ammonium anticholinergic agent with peripheral side effects similar to those of atropine. It is used as an adjunct in the treatment of gastric and duodenal ulcer, and to relieve visceral spasms. The drug has also been used in the form of eye drops for mydriatic effect. [PubChem] A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics

Pentylbenzene

N-Pentyl benzene

C11H16 (148.1251936)

Pentylbenzene belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Pentylbenzene can be found in lovage and wild celery, which makes pentylbenzene a potential biomarker for the consumption of these food products. Pentylbenzene exists in all eukaryotes, ranging from yeast to humans. Pentylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

(±)-2-Hydroxy-2-phenylacetonitrile

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

C8H7NO (133.0527612)

(±)-2-Hydroxy-2-phenylacetonitrile, also known as mandelonitrile, alpha-hydroxybenzeneacetonitrile or benzal dehyde cyanohydrin, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Mandelonitrile is a chemical compound of the cyanohydrin class. Hydroxy-2-phenylacetonitrile is a potentially toxic compound. The primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. (±)-2-Hydroxy-2-phenylacetonitrile has been detected, but not quantified, in fruits. This could make (±)-2-hydroxy-2-phenylacetonitrile a potential biomarker for the consumption of these foods. (±)-2- Oxygen therapy can also be administered. Isolated from peach kernels (Prunus persica). (±)-2-Hydroxy-2-phenylacetonitrile is found in fruits.

Capillene

2,4-Hexadiynylbenzene, 9ci

C12H10 (154.078246)

Capillene is found in herbs and spices. Capillene is isolated from oil of Artemisia dracunculus (tarragon Isolated from oil of Artemisia dracunculus (tarragon). Capillene is found in herbs and spices.

3-Phenyl-1-propanol

laquo gammaraquo -Phenylpropyl alcohol

C9H12O (136.08881019999998)

Occurs in storax and fern balsamand is also present in Vaccinium subspecies fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. Flavouring ingredient. 3-Phenyl-1-propanol is found in many foods, some of which are highbush blueberry, bilberry, mushrooms, and alcoholic beverages. 3-Phenyl-1-propanol is found in alcoholic beverages. 3-Phenyl-1-propanol occurs in storax and fern balsam. Also present in Vaccinium species fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. 3-Phenyl-1-propanol is a flavouring ingredient.

(E)-26,27-Dinorergosta-4,22-dien-3-one

2,15-dimethyl-14-[(3E)-5-methylhex-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one

C26H40O (368.307899)

(E)-26,27-Dinorergosta-4,22-dien-3-one is found in crustaceans. (E)-26,27-Dinorergosta-4,22-dien-3-one is a constituent of dried prawns (Nematopalaemon tenuipes).

Amyl phenylacetate

Acetic acid, phenyl-, pentyl ester (8ci)

Amyl phenylacetate is a flavouring ingredient. Flavouring ingredient

3-Hydroxy-4-phenylbutan-2-one

2-Butanone, 3-hydroxy-4-phenyl

3-Hydroxy-4-phenylbutan-2-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

cis-3-Hexenyl phenylacetate

beta ,laquo gammaraquo -Hexenyl alpha -toluate

C14H18O2 (218.1306728)

cis-3-Hexenyl phenylacetate is a flavouring ingredient. cis-3-Hexenyl phenylacetate is present in Mentha species. Flavouring ingredient. Present in Mentha subspecies

2-Phenylethyl formate

2-Fenylethylester kyseliny mravenci

C9H10O2 (150.06807600000002)

2-Phenylethyl formate is found in bilberry. 2-Phenylethyl formate is a flavouring ingredient. Flavouring ingredient. 2-Phenylethyl formate is found in bilberry.

3-Acetoxy-3-methyl-1-phenylbutane

Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate

3-Acetoxy-3-methyl-1-phenylbutane is a flavouring ingredien Flavouring ingredient

(2-Methoxyethyl)benzene

beta-Phenylethyl methyl ether

C9H12O (136.08881019999998)

(2-Methoxyethyl)benzene is a flavouring ingredient. It is isolated from the famine food Pandanus odoratissimu Flavouring ingredient. Isolated from the famine food Pandanus odoratissimus.

Phenethyl phenylacetate

Benzeneacetic acid, 2-phenylethyl ester

C16H16O2 (240.1150236)

Phenethyl phenylacetate is found in linden. Phenethyl phenylacetate is an imitation fruit flavouring ingredien Imitation fruit flavouring ingredient. Phenethyl phenylacetate is found in linden.

3-Phenylpropanal

beta -Phenylpropionaldehyde

C9H10O (134.073161)

3-Phenylpropanal, also known as benzenepropanal or benzylacetaldehyde, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 3-Phenylpropanal is a balsam, chocolate, and cinnamon tasting compound. 3-Phenylpropanal is found, on average, in the highest concentration within ceylon cinnamons. 3-Phenylpropanal has also been detected, but not quantified, in several different foods, such as chinese cinnamons, garden tomato (var.), cherry tomato, herbs and spices, and garden tomato. Present in cinnamon, tomato, gruyere de comte cheese, beer, cooked trassi, origanum (Spanish) and strawberry. Flavour ingredient. 3-Phenylpropanal is found in many foods, some of which are garden tomato (variety), chinese cinnamon, ceylon cinnamon, and fruits.

Phenylmethanethiol

Mercaptomethyl, polymer-bound

C7H8S (124.03466879999999)

Phenylmethanethiol is a flavouring agent Flavouring agent

4-Phenyl-2-butenal

(2E)-4-phenylbut-2-enal

C10H10O (146.073161)

4-Phenyl-2-butenal is found in mushrooms. 4-Phenyl-2-butenal is a odorous component of Phallus impudicus (common stinkhorn

4-Phenyl-2-butanol

a-Methylbenzenepropanol, 9ci

C10H14O (150.1044594)

(±)-4-Phenyl-2-butanol is a flavouring ingredien Flavouring ingredient

Hexylbenzene

N-Hexylbenzene

C12H18 (162.1408428)

Hexylbenzene belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

2-Phenylethyl 2-methylpropanoate

2-Phenylethyl 2-methylpropanoic acid

C17H19NO3 (285.13648639999997)

2-Phenylethyl 2-methylpropanoate is found in alcoholic beverages. 2-Phenylethyl 2-methylpropanoate is found in Mentha species, olive (Olea europea), beer and other beverages. 2-Phenylethyl 2-methylpropanoate is a food flavourin Found in Mentha subspecies, olive (Olea europea), beer and other beverages. Food flavouring

(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne

[(4Z)-5-(Methylsulphanyl)pent-4-en-2-yn-1-yl]benzene

C12H12S (188.0659672)

(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne is found in herbs and spices. (Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne is isolated from roots of Chrysanthemum coronarium (chop-suey greens

Secodemethylclausenamide

2,3-Dihydroxy-3-phenyl-N-(2-phenylethyl)propanimidate

Secodemethylclausenamide is found in fruits. Secodemethylclausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). Secodemethylclausenamide is found in fruits.

Ethyl phenylacetate

Acetic acid, phenyl-, ethyl ester

Ethyl phenylacetate, also known as ethyl alpha -toluate or ethyl benzeneacetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Ethyl phenylacetate is a sweet, anise, and balsam tasting compound. Ethyl phenylacetate is found, on average, in the highest concentration within corns. Ethyl phenylacetate has also been detected, but not quantified, in several different foods, such as citrus, pulses, german camomiles, alcoholic beverages, and cereals and cereal products. Ethyl phenylacetate is an odoriferous constituent of many plants. It is found in many foods, some of which are apple, grapefruit, guava fruit, papaya, melon, pineapple, wheat bread, crispbread, wines, fruit brandies, shoyu, bael (Aegle marmelos), sake, and ceriman (Monstera deliciosa). It can be used as a flavouring ingredient.

Diphenyl disulfide

(Phenyldisulphanyl)benzene

C12H10S2 (218.02239)

Diphenyl disulfide is a flavouring ingredient Diphenyl disulfide is the chemical compound with the formula [C6H5S]2. This colorless crystalline material is often abbreviated Ph2S2. It is one of the most popular organic disulfides used in organic synthesis. Minor contamination by thiophenol is responsible for the disagreeable odour associated with this compound Flavouring ingredient

Benzyl methyl sulfide

[(methylthio)Methyl]benzene, 9ci

C8H10S (138.050318)

Benzyl methyl sulfide is found in animal foods. Benzyl methyl sulfide is a flavouring agent. Benzyl methyl sulfide is present in cooked por Benzyl methyl sulfide is a flavouring agent. It is found in animal foods, specifically cooked pork.

6-Phenyl-3-hexen-2-one

(3E)-6-phenylhex-3-en-2-one

C12H14O (174.1044594)

6-Phenyl-3-hexen-2-one is found in beverages. 6-Phenyl-3-hexen-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002

Prehnitene

1,2,3,4-TETRAMETHYLBENZENE

C13H12N2O (212.09495819999998)

Prehnitene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

Pentadecylbenzene

Benzene, mono-C10-16-alkyl derivs.

C21H36 (288.2816856)

Pentadecylbenzene is found in mollusks. Pentadecylbenzene is a constituent of the mussel (Mytilus galloprovincialis). Constituent of the mussel (Mytilus galloprovincialis). Pentadecylbenzene is found in mollusks.

Carbanilide

Urea-based compound, 7

Carbanilide is found in fruits. Carbanilide is isolated from coconut mil

4-Phenyl-2-butyl acetate

Benzenepropanol, alpha-methyl-, 1-acetate

C19H28NO3+ (318.20690780000007)

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

6-Phenylundecane

benzene, (1-pentylhexyl)-

C17H28 (232.2190888)

6-Phenylundecane belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Methyl phenylacetate

Methyl ester OF phenylacetic acid

C9H10O2 (150.06807600000002)

Methyl phenylacetate, also known as fema 2733 or mephaneine, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Methyl phenylacetate is a sweet, almond, and floral tasting compound. Methyl phenylacetate is found, on average, in the highest concentration within corns. Methyl phenylacetate has also been detected, but not quantified, in several different foods, such as cocoa and cocoa products, coffee and coffee products, fruits, and pepper (c. frutescens). This could make methyl phenylacetate a potential biomarker for the consumption of these foods. Methyl phenylacetate has a strong odor similar to honey. It is a colorless liquid that is only slightly soluble in water, but soluble in most organic solvents. It is used in the flavor industry and in perfumes to impart honey scents. This compound also occurs in brandy, capsicum, coffee, honey, pepper, and some wine. Methyl phenyldiazoacetate, precursor to cyclopropanation agents, is prepared by treating methyl phenylacetate with p-acetamidobenzenesulfonyl azide in the presence of base. Methyl phenylacetate is an organic compound that is the methyl ester of phenylacetic acid, with the structural formula C6H5CH2COOCH3. Methyl phenylacetate is an organic compound that is the ester formed from methanol and phenylacetic acid. It is a clear colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Methyl phenylacetate is found in many foods, some of which are cocoa and cocoa products, corn, coffee and coffee products, and pepper (C. frutescens).

Rosmic acid

9-[(1Z)-3-methoxy-3-oxo-2-(propan-2-yl)prop-1-en-1-yl]-5,5-dimethyl-8,11-dioxo-12-oxatricyclo[5.3.2.0¹,⁶]dodec-9-ene-10-carboxylic acid

C21H26O7 (390.1678446)

Rosmic acid is found in herbs and spices. Rosmic acid is a constituent of Rosmarinus officinalis (rosemary)

Vorinostat

Octanedioic acid hydroxyamide phenylamide

C14H20N2O3 (264.147385)

Vorinostat (rINN) or suberoylanilide hydroxamic acid (SAHA), is a drug currently under investigation for the treatment of cutaneous T cell lymphoma (CTCL), a type of skin cancer, to be used when the disease persists, gets worse, or comes back during or after treatment with other medicines. It is the first in a new class of agents known as histone deacetylase inhibitors. A recent study suggested that vorinostat also possesses some activity against recurrent glioblastoma multiforme, resulting in a median overall survival of 5.7 months (compared to 4 - 4.4 months in earlier studies). Further brain tumor trials are planned in which vorinostat will be combined with other drugs. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents

Betamipron

N-Benzoylalanine monosodium salt, (L-ala)-isomer

C10H11NO3 (193.0738896)

Betamipron is an artificial sweetene Artificial sweetener

Phenylpropiolic acid

Phenylacetylene monocarboxylic acid

C9H6O2 (146.0367776)

Phenylpropiolic acid is an acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. It is an alpha,beta-unsaturated monocarboxylic acid, an acetylenic compound and a member of benzenes. It derives from a propynoic acid. Phenylpropiolic acid is one of a number of phenylpropanoid, natural products occurring in plants pathways involved in plant resistance providing building units of physical barriers against pathogen invasion, synthesizing an array of antibiotic compounds, and producing signals implicated in the mounting of plant resistance. (PMID 15199968). Phenylpropiolic acid is a cis-pyrrolidinone that has been tested as an inhibitors of type II 17beta-hydroxysteroid dehydrogenase for the treatment of osteoporosis. (PMID 16806919). Phenylpropiolic acid (C6H5CCCO2H) is formed by the action of alcoholic potash on cinnamic acid dibromide (C6H5CHBrCHBrCO2H), crystallizes in long needles or prisms which melt at 136–137 °C. When heated with water to 120 °C, it yields phenylacetylene (C6H5CCH). Chromic acid oxidizes it to benzoic acid; zinc and acetic acid reduce it to cinnamic acid, C6H5CH=CHCO2H, whilst sodium amalgam reduces it to hydrocinnamic acid, C6H5CH2CH2CO2H. Ortho-nitrophenylpropiolic acid, NO2C6H4CCCO2H, prepared by the action of alcoholic potash on ortho-nitrocinnamic acid dibromide, crystallizes in needles which decompose when heated to 155–156 °C. It is readily converted into indigo. Phenylpropiolic acid is one of a number of phenylpropanoid, natural products occurring in plants pathways involved in plant resistance providing building units of physical barriers against pathogen invasion, synthesizing an array of antibiotic compounds, and producing signals implicated in the mounting of plant resistance. (PMID 15199968) Phenylpropiolic acid is an endogenous metabolite. Phenylpropiolic acid is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Phenylpropiolic acid is an endogenous metabolite. Phenylpropiolic acid is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Bethanidine

N,N-dimethyl-n-(phenylmethyl)-guanidine

C10H15N3 (177.126591)

Bethanidine is only found in individuals that have used or taken this drug. It is a guanidinium antihypertensive agent that acts by blocking adrenergic transmission.Bethanidine, a guanidine derivative, is a peripherally acting antiadrenergic agent which primarily acts as an alpha2a adrenergic agonist. Bethanidine effectively decreases blood pressure by suppressing renin secretion or interfering with function of the sympathetic nervous system. C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents

Glycopyrrolate

Pyrrolidinium, 3-((cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide

Glycopyrrolate is only found in individuals that have used or taken this drug. It is a synthetic anticholinergic agent with a quaternary ammonium structure. A muscarinic competitive antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics. [PubChem]Glycopyrrolate binds competitively to the muscarinic acetylcholine receptor. Like other anticholinergic (antimuscarinic) agents, it inhibits the action of acetylcholine on structures innervated by postganglionic cholinergic nerves and on smooth muscles that respond to acetylcholine but lack cholinergic innervation. These peripheral cholinergic receptors are present in the autonomic effector cells of smooth muscle, cardiac muscle, the sinoatrial node, the atrioventricular node, exocrine glands and, to a limited degree, in the autonomic ganglia. Thus, it diminishes the volume and free acidity of gastric secretions and controls excessive pharyngeal, tracheal, and bronchial secretions. D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AA - Antihidrotics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents

Cyclandelate

3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate

C17H24O3 (276.1725354)

Cyclandelate is only found in individuals that have used or taken this drug. It is a direct-acting smooth muscle relaxant used to dilate blood vessels. It may cause gastrointestinal distress and tachycardia. Cyclandelate is not approved for use in the U.S. or Canada, but is approved in various European countries.Cyclandelate produces peripheral vasodilation by a direct effect on vascular smooth muscle. Pharmacological action may be due to calcium-channel antagonism. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

(±)-Conen

Butyl (benzylsulphanyl)(ethylsulphanyl)phosphinic acid

C13H21O2PS2 (304.0720536)

(±)-Conen is a fungicide, used against rice blas

2-Phenyl-1,3-dioxolane-4-methanol

Benzaldehyde, cyclic (hydroxymethyl)ethylene acetal

C10H12O3 (180.0786402)

Benzaldehyde glyceryl acetal comprising this compound and/or 5-Hydroxy-2-phenyl-1,3-dioxane NTR22-C, is used as a food flavouring agent (*FEMA 2128*). Benzaldehyde glyceryl acetal comprising this compound and/or 5-Hydroxy-2-phenyl-1,3-dioxane NTR22-C, is used as a food flavouring agent (*FEMA 2128*)

3-Methyl-4-phenyl-3-buten-2-one

(3E)-3-Methyl-4-phenyl-3-buten-2-one

C11H12O (160.08881019999998)

(E)-3-Methyl-4-phenyl-3-buten-2-one is a flavouring ingredien It is used as a food additive .

4-Methyl-1-phenyl-2-pentanol

alpha-(2-Methylpropyl)-benzeneethanol

C12H18O (178.1357578)

(±)-4-Methyl-1-phenyl-2-pentanol is a flavouring ingredien It is used as a food additive .

4-Methyl-1-phenyl-2-pentanone

C12H16O (176.12010859999998)

4-Methyl-1-phenyl-2-pentanone is a flavouring ingredien Flavouring ingredient

1-Phenyl-2-pentanol

alpha-Propyl-phenethyl alcohol

C11H16O (164.12010859999998)

(±)-1-Phenyl-2-pentanol is a flavouring agent It is used as a food additive .

2-Phenyl-1-propanol

2-Phenylpropanol-1, (R)-isomer

C9H12O (136.08881019999998)

(±)-2-Phenyl-1-propanol is a flavouring agent Flavouring agent

3-Methyl-1-phenyl-3-pentanol

a-Ethyl-a-methylbenzenepropanol

C12H18O (178.1357578)

(±)-3-Methyl-1-phenyl-3-pentanol is a flavouring ingredien It is used as a food additive .

2-Methyl-4-phenyl-2-butanol

alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol

C11H16O (164.12010859999998)

2-Methyl-4-phenyl-2-butanol is a flavouring ingredien Flavouring ingredient

Monomethyl phenylphosphonate

Phenylphosphonic acid, monomethyl ester

C7H9O3P (172.0289294)

Monomethyl phenylphosphonate is a metabolite of Leptophos DLC66-L and Leptophos Oxon belo

2-Methyl-4-phenylbutyraldehyde

2-Methyl-4-phenyl-butyraldehyde

C11H14O (162.1044594)

(±)-2-Methyl-4-phenylbutanal is a flavouring ingredient. Flavouring ingredient

(+/-)-1-Phenylethylmercaptan

alpha-Methyl-(S)-benzenemethanethiol

C8H10S (138.050318)

(+/-)-1-Phenylethylmercaptan is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

2-Phenylpropionaldehyde dimethyl acetal

C11H16O2 (180.1150236)

1,1-Dimethoxy-2-phenylpropane is a flavouring agent. It is used as a food additive .

1,1-Dimethoxy-2-phenylethane

Acetaldehyde, phenyl-, dimethyl acetal

C10H14O2 (166.09937440000002)

1,1-Dimethoxy-2-phenylethane is a flavouring ingredien Flavouring ingredient

2-Phenylethanethiol

beta-Phenylethyl mercaptan

C8H10S (138.050318)

2-Phenylethanethiol is a food flavourin

Secoclausenamide

2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide

C18H21NO3 (299.1521356)

Secoclausenamide is found in fruits. Secoclausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). Secoclausenamide is found in fruits.

2-Phenylpropyl isobutyrate

2-Phenylpropyl 2-methylpropanoic acid

2-Phenylpropyl isobutyrate is a flavouring ingredien Flavouring ingredient

3-Phenylpropyl formate

1-Propanol, 3-phenyl-, formate

3-Phenylpropyl formate is used in food flavourin It is used in food flavouring.

3-Phenylpropyl 2-methylpropanoate

Propanoic acid, 2-methyl-, 3-phenylpropyl ester

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

Benzyl sulfate

(Benzyloxy)sulphonic acid

C7H8O4S (188.0143288)

Benzyl sulfate is a constituent of various plant species. Flavour component

(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid

2-{[cyano(phenyl)methyl]-C-hydroxycarbonimidoyl}acetate

C11H10N2O3 (218.069139)

(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is a metabolite of Phoxim GGL75-E formed by soybean plants and cell culture Metabolite of Phoxim GGL75-E formed by soybean plants and cell cultures. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses.

3-Methylbutyl phenylacetate

Benzeneacetic acid, 3-methylbutyl ester

3-Methylbutyl phenylacetate is found in peppermint. 3-Methylbutyl phenylacetate is a flavouring ingredien Flavouring ingredient. 3-Methylbutyl phenylacetate is found in peppermint.

2-Methylpropyl phenylacetate

Acetic acid, phenyl-, isobutyl ester (6ci,8ci)

2-Methylpropyl phenylacetate is a flavouring ingredien Flavouring ingredient

2-Phenylethyl propanoate

PROPANOIC ACID,3-(ethyl,2-phenyl) ester MFC11 H14 O2

2-Phenylethyl propanoate is found in alcoholic beverages. 2-Phenylethyl propanoate is found in guava Pisidium guajava, cheeses, peanut and brandy. 2-Phenylethyl propanoate is a food flavou Found in guava Pisidium guajava, cheeses, peanut and brandy. Food flavour

Rhubafuran

tetrahydro-2,4-Dimethyl-4-phenyl-(2R,4R)-rel-furan

C12H16O (176.12010859999998)

Rhubafuran is a fragrance/flavouring agent ingredien Fragrance/flavoring agent ingredient

2-(3-Phenylpropyl)tetrahydrofuran

tetrahydro-2-(3-Phenylpropyl)furan, 9ci

C13H18O (190.1357578)

2-(3-Phenylpropyl)tetrahydrofuran is a flavouring ingredien Flavouring ingredient

alpha-Amylcinnamyl formate

(2Z)-2-(Phenylmethylidene)heptyl formic acid

C15H20O2 (232.14632200000003)

alpha-Amylcinnamyl formate is a flavouring ingredien Flavouring ingredient

alpha-Amylcinnamyl acetate

(2Z)-2-(Phenylmethylidene)heptyl acetic acid

C16H22O2 (246.1619712)

alpha-Amylcinnamyl acetate is a flavouring ingredien Flavouring ingredient

[2-(Dimethoxymethyl)-1-heptenyl]benzene

[(1Z)-2-(dimethoxymethyl)hept-1-en-1-yl]benzene

C16H24O2 (248.1776204)

[2-(Dimethoxymethyl)-1-heptenyl]benzene is a flavouring ingredien Flavouring ingredient

3-Phenylpropyl propanoate

1-Propanol, 3-phenyl-, propionate

3-Phenylpropyl propanoate is a flavouring ingredient. Flavouring ingredient

Acetal R

Acetaldehyde phenylethyl propyl acetal

C13H20O2 (208.14632200000003)

(±)-Acetal R is a flavouring ingredient with a green pepper taste; useful in vegetable as fruit flavours. It is used as a food additive

2-Propenyl phenylacetate

Benzeneacetic acid, 2-propen-1-yl ester

C11H12O2 (176.0837252)

2-Propenyl phenylacetate is a flavouring ingredient. Flavouring ingredient

1-Benzyloxy-1-(2-methoxyethoxy)ethane

{[1-(2-methoxyethoxy)ethoxy]methyl}benzene

C12H18O3 (210.1255878)

1-Benzyloxy-1-(2-methoxyethoxy)ethane is a flavouring ingredient. Flavouring ingredient

4-Methyl-2-phenyl-1,3-dioxolane

Benzaldehyde propylene glycol acetal

4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages. 4-Methyl-2-phenyl-1,3-dioxolane is reported in port wine. 4-Methyl-2-phenyl-1,3-dioxolane is a flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. 4-Methyl-2-phenyl-1,3-dioxolane is a stabiliser for aspartame in chewing-gum formulations. Reported in port wine. Flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. Stabiliser for aspartame in chewing-gum formulations. 4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages.

4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI

2-Phenylpropionaldehyde propylene glycol acetal

4-Methyl-2-(1-phenylethyl)-1,3-dioxolane, 9CI is a flavouring ingredient. Flavouring ingredient

2-Methyl-4-phenyl-2-butyl 2-methylpropanoate

Isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester

C15H22O2 (234.1619712)

2-Methyl-4-phenyl-2-butyl 2-methylpropanoate is a flavouring ingredient with a fruit juice flavour. Flavouring ingredient with a fruit juice flavour

[2,2-Bis(2-methylpropoxy)ethyl]benzene

[2,2-Bis(2-methylpropoxy)ethyl]benzene, 9ci

C16H26O2 (250.1932696)

[2,2-bis(2-methylpropoxy)ethyl]benzene is a flavouring ingredient. Flavouring ingredient

Hexyl phenylacetate

Acetic acid, phenyl-, hexyl ester

C14H20O2 (220.14632200000003)

Hexyl phenylacetate is found in tea. Hexyl phenylacetate is a flavouring ingredient. Flavouring ingredient. Hexyl phenylacetate is found in tea.

Acetaldehyde butyl phenethyl acetal

Acetaldehyde, butyl phenylethyl acetal

C14H22O2 (222.1619712)

Acetaldehyde butyl phenethyl acetal is a flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours. Flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours

1-Isothiocyanato-3-phenylpropane

Isothiocyanic acid 3-phenylpropyl ester

C10H11NS (177.0612166)

1-Isothiocyanato-3-phenylpropane is found in brassicas. 1-Isothiocyanato-3-phenylpropane is isolated from horseradish. Isolated from horseradish. 1-Isothiocyanato-3-phenylpropane is found in horseradish and brassicas.

3-Phenyl-4-pentenal

3-Phenyl-3-vinylpropionaldehyde

C11H12O (160.08881019999998)

3-Phenyl-4-pentenal is a flavouring ingredient. Flavouring ingredient

2-Benzyl-4,5-dimethyl-1,3-dioxolane

2-[5-(Phenylcarbonyl)-2-thienyl]propanoic acid

2-Benzyl-4,5-dimethyl-1,3-dioxolane is a flavouring ingredient for baked goods, puddings, candies and nonalcoholic beverages Tiaprofenic acid is a non-steroidal anti-inflammatory drug of the arylpropionic acid (profen) class, used to treat pain, especially arthritic pain. The typical adult dose is 300mg twice daily. It is not recommended in children. Flavouring ingredient for baked goods, puddings, candies and nonalcoholic beverages

Propyl phenylacetate

Acetic acid, phenyl-, propyl ester (8ci)

Propyl phenylacetate is a flavouring ingredient. Flavouring ingredient

Isopropyl phenylacetate

Benzeneacetic acid, 1-methylethyl ester

Isopropyl phenylacetate is a flavouring ingredient. Flavouring ingredient

Butyl phenylacetate

Acetic acid, phenyl-, butyl ester

C11H14O6S (274.05110640000004)

Butyl phenylacetate is found in fruits. Butyl phenylacetate is a flavouring agent. Butyl phenylacetate is present in mountain papaya (Carica pubescens). Butyl phenylacetate is a flavouring agent. It is found in mountain papaya (Carica pubescens), and other fruits.

Benzyl methyl disulfide

[(Methyldisulphanyl)methyl]benzene

C8H10S2 (170.02239)

Benzyl methyl disulfide is found in cocoa and cocoa products. Benzyl methyl disulfide is present in cocoa and roasted peanut. Benzyl methyl disulfide is a flavouring ingredient. Present in cocoa and roasted peanut. Flavouring ingredient. Benzyl methyl disulfide is found in cocoa and cocoa products and nuts.

Methyl phenyl disulfide

(Methyldisulphanyl)benzene

C7H8S2 (156.0067408)

Methyl phenyl disulfide is found in beverages. Methyl phenyl disulfide is found in cocoa. Methyl phenyl disulfide is a flavouring agent for baked goods, beverages and seasonings. Found in cocoa. Flavouring agent for baked goods, beverages and seasonings

3-Benzyl-4-heptanone

3-(Phenylmethyl)-4-heptanone, 9ci

C14H20O (204.151407)

3-Benzyl-4-heptanone is used in food flavouring (plum/peach). It is used in food flavouring (plum/peach)

2-Benzyl-5-hydroxymethyl-1,3-dioxolane

2-(Phenylmethyl)-1,3-dioxolane-4-methanol

C11H14O3 (194.0942894)

2-Benzyl-5-hydroxymethyl-1,3-dioxolane is a mixture with 5-Hydroxy-2-benzyl-1,3-dioxane NZC05-S is used as a flavouring ingredient. Mixture with 5-Hydroxy-2-benzyl-1,3-dioxane NZC05-S is used as a flavouring ingredient

(2,2-Diethoxyethyl)benzene

Phenyl acetaldehyde diethyl acetal

C12H18O2 (194.1306728)

(2,2-Diethoxyethyl)benzene is a perfumery ingredient. (2,2-Diethoxyethyl)benzene is a flavouring ingredient [CCD]. Perfumery ingredient. Flavouring ingredient [CCD]

Phenethyl isoamyl ether

[2-(3-Methylbutoxy)ethyl]benzene, 9ci

C13H20O (192.151407)

Phenethyl isoamyl ether is used in perfumes, household products and food flavouring [CCD]. It is used in perfumes, household products and food flavouring [CCD]

Ketophenylbutazone

1,2-Diphenyl-4-(gamma-ketobutyl)-3,5-pyrazolidinedione

C19H18N2O3 (322.1317358)

M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines Ketophenylbutazone belongs to the family of Pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. 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 D018501 - Antirheumatic Agents

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

C13H16O (188.12010859999998)

3-buten-2-one 1-(2,3,6-trimethyl phenyl) belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate

4-Hydroxy-5-(phenyl)-valeric acid-O-sulphuric acid

4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate is a conjugate of 4-hydroxy-5-(phenyl)-valeric acid and sulphate.

4-phenylbutanic acid-O-sulphate

4-Phenylbutanic acid-O-sulphuric acid

C10H12O5S (244.04054219999998)

4-phenylbutanic acid-O-sulphate is a conjugate of 4-phenylbutanic acid and sulphate. 4-phenylbutyric acid is a monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the γ-globin gene and affects hPPARγ activation. (CHEBI:41500)

N-desethyloxybutynin

4-(ethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate

C20H27NO3 (329.1990832)

N-desethyloxybutynin is a metabolite of oxybutynin. Oxybutynin (Ditropan, Lyrinel XL) is an anticholinergic medication used to relieve urinary and bladder difficulties, including frequent urination and inability to control urination, by decreasing muscle spasms of the bladder. It competitively antagonizes the M1, M2, and M3 subtypes of the muscarinic acetylcholine receptor. It also has direct spasmolytic effects on bladder smooth muscle as a calcium antagonist and local anesthetic, but at concentrations far above those used clinically. (Wikipedia) D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids

27-O-demethylrifabutin

(7S,9Z,11R,12R,13S,14R,15S,16S,17S,18R,19Z,21Z)-2,11,15,17,23-pentahydroxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4-piperidine]-1(31),2,4,9,19,21,23,25,29-nonaen-13-yl acetate

C45H60N4O11 (832.425837)

27-O-demethylrifabutin is a metabolite of rifabutin. Rifabutin (Rfb) is a bactericidal antibiotic drug primarily used in the treatment of tuberculosis. The drug is a semi-synthetic derivative of rifamycin S. Its effect is based on blocking the DNA-dependent RNA-polymerase of the bacteria. It is effective against Gram-positive and some Gram-negative bacteria, but also against the highly resistant Mycobacteria, e.g. Mycobacterium tuberculosis, M. leprae and M. avium intracellulare. (Wikipedia)

(3-Methyl-2-butenyl)-benzene

(3-methylbut-2-en-1-yl)benzene

C11H14 (146.1095444)

(3-Methyl-2-butenyl)-benzene belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

1-Phenylheptane

C13H20 (176.15649200000001)

1-Phenylheptane belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

bis(Benzyloxy)methane

{[(benzyloxy)methoxy]methyl}benzene

C15H16O2 (228.1150236)

bis(Benzyloxy)methane belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene).

1,2-Diacylglycerol-LD-PI-pool

Phenyl isocyanate, 14C-labeled CPD

C7H5NO (119.03711200000001)

1,2-Diacylglycerol-LD-PI-pool, also known as PI or Carba0, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2-Diacylglycerol-LD-PI-pool is considered to be practically insoluble (in water) and basic. 1,2-Diacylglycerol-LD-PI-pool is a non-carcinogenic (not listed by IARC) potentially toxic compound

1-Phenyl-2-hexanone

C12H16O (176.12010859999998)

1-phenyl-2-hexanone is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. 1-phenyl-2-hexanone is considered to be a practically insoluble (in water) and an extremely weak acidic compound. 1-phenyl-2-hexanone can be found in feces.

Fentin

Super tin 4l gardian flowable fungicide

C18H16OSn (368.0223076)

Fentin, also known as [sn(OH)PH3] or du-ter, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Fentin is considered to be a practically insoluble (in water) and relatively neutral molecule. Fentin participates in a number of enzymatic reactions. In particular, fentin can be biosynthesized from triphenylstannane. Fentin can also be converted into fentin acetate. Fentin is a potentially toxic compound. Agricultural fungicide for potatoes, sugar beet, pecans and peanuts

Diphenylmercury

C12H10Hg (356.048878)

Diphenylmercury belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

3-Phenylpropionic acid sulfate

3-Phenylpropionic acid sulphuric acid

C9H10O5S (230.024893)

3-Phenylpropionic acid sulfate is an endogenous phenolic acid metabolite. 3-Phenylpropionic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).

(1E)-1-Phenyltriaz-1-ene

C6H7N3 (121.0639942)

(4-Carbamimidoylphenyl)methanesulfonyl fluoride

(4-Carbamimidoylphenyl)methanesulphonyl fluoride

C8H9FN2O2S (216.0368746)

1-Benzylguanidine

Benzylguanidine hemisulfate

C8H11N3 (149.0952926)

1-Phenyl-1-cyclohexene

(cyclohex-1-en-1-yl)benzene

C12H14 (158.1095444)

Fenipentol

1-Phenyl-1-hydroxy-N-pentane

C11H16O (164.12010859999998)

C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics

1,2-Bis(diphenylphosphino)ethane

[2-(diphenylphosphanyl)ethyl]diphenylphosphane

C26H24P2 (398.13531639999997)

1,2-Diethylbenzene

1,2-DIETHYLBENZENE

1,2,3,5-Tetramethylbenzene

1,2,3,5-TETRAMETHYLBENZENE

C13H17N2O2 (233.12899620000002)

1,4-Bis(trichloromethyl)benzene

1,4-BIS(TRICHLOROMETHYL)BENZENE

C8H4Cl6 (309.8444164)

D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics

2-Phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide

(4,4,5,5-tetramethyl-3-oxido-2-phenyl-4,5-dihydro-1H-imidazol-3-ium-1-yl)oxidanyl

D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants

2-(3-Pentylphenyl)acetic acid