Classification Term: 3289

1-hydroxy-4-unsubstituted benzenoids (ontology term: CHEMONTID:0004647)

Phenols that are unsubstituted at the 4-position." []

found 32 associated metabolites at sub_class metabolite taxonomy ontology rank level.

Ancestor: Phenols

Child Taxonomies: There is no child term of current ontology term.

3-Hydroxyphenylacetic acid

(3-Hydroxy-phenyl)-acetic acid

C8H8O3 (152.0473418)


3-Hydroxyphenylacetic acid is a rutin metabolite and an antioxidant. It has a protective biological activity in human. It is a substrate of enzyme 4-hydroxyphenylacetate 3-monooxygenase [EC 1.14.13.3] in the pathway tyrosine metabolism (KEGG, PMID 155437). 3-Hydroxyphenylacetic acid is found to be associated with phenylketonuria, which is an inborn error of metabolism. It is also a marker of gut Clostridium species. Higher levels are associated with higher levels of Clostridia (PMID: 27123458). 3-Hydroxyphenylacetic acid can also be found in Klebsiella (PMID: 1851804). 3-Hydroxyphenylacetic acid is a rutin metabolite and an antioxidant. It has a protective biological activity in human. It is a substrate of enzyme 4-hydroxyphenylacetate 3-monooxygenase [EC 1.14.13.3] in the pathway tyrosine metabolism. (KEGG, PMID 155437) [HMDB] CONFIDENCE standard compound; INTERNAL_ID 156 CONFIDENCE standard compound; INTERNAL_ID 45 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 3-Hydroxyphenylacetic acid is an endogenous metabolite.

   

Phenylephrine

(R)-3-Hydroxy-alpha-((methylamino)methyl)benzenemethanol

C9H13NO2 (167.09462380000002)


Phenylephrine is an alpha-adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent (PubChem). Phenylephrine is used as a decongestant, available as an oral medicine or as a nasal spray. Phenylephrine is not the most common over-the-counter (OTC) decongestant (wikipedia). (R)-(-)-Phenylephrine is a selective α1-adrenoceptor agonist primarily used as a decongestant.

   

Cardanolmonoene

3-[(8E)-pentadec-8-en-1-yl]phenol

C21H34O (302.2609514)


Cardanolmonoene is found in cashew nut. Cardanolmonoene is a major constituent of lipids of Anacardium occidentale (cashew nut). It is isolated from fruit of Ginkgo biloba (ginkgo Major constituent of lipids of Anacardium occidentale (cashew nut). Isolated from fruit of Ginkgo biloba (ginkgo). Cardanolmonoene is found in cashew nut, fats and oils, and nuts.

   

2-Ethylphenol

O-Ethylphenol

C8H10O (122.07316100000001)


2-ethylphenol, also known as phlorol or 1-ethyl-2-hydroxybenzene, is a member of the class of compounds known as 1-hydroxy-4-unsubstituted benzenoids. 1-hydroxy-4-unsubstituted benzenoids are phenols that are unsubstituted at the 4-position. 2-ethylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-ethylphenol can be found in arabica coffee, which makes 2-ethylphenol a potential biomarker for the consumption of this food product. Ethylphenol may refer to: 2-Ethylphenol 3-Ethylphenol 4-Ethylphenol .

   

3-Ethylphenol

3-Ethyl-phenol

C8H10O (122.07316100000001)


3-Ethylphenol belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group. 3-Ethylphenol is a musty tasting compound. 3-Ethylphenol has been detected, but not quantified, in cauliflowers. This could make 3-ethylphenol a potential biomarker for the consumption of these foods. 3-Ethylphenol is a potentially toxic compound. CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5500; ORIGINAL_PRECURSOR_SCAN_NO 5498 CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5481; ORIGINAL_PRECURSOR_SCAN_NO 5477 CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5508; ORIGINAL_PRECURSOR_SCAN_NO 5504 CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5517; ORIGINAL_PRECURSOR_SCAN_NO 5515 CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5505; ORIGINAL_PRECURSOR_SCAN_NO 5503 CONFIDENCE standard compound; INTERNAL_ID 451; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5508; ORIGINAL_PRECURSOR_SCAN_NO 5507 Flavouring compound [Flavornet]

   

Phenol

Phenolated water for disinfection

C6H6O (94.0418626)


Phenol, is a toxic, colourless crystalline solid with a sweet tarry odor that resembles a hospital smell. It is commonly used as an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. It has been used to disinfect skin and to relieve itching. Phenol is also used in the preparation of cosmetics including sunscreens, hair dyes, and skin lightening preparations. It is also used in the production of drugs (it is the starting material in the industrial production of aspirin), weedkillers, and synthetic resins. Phenol can be found in areas with high levels of motor traffic, therefore, people living in crowded urban areas are frequently exposed to traffic-derived phenol vapor. The average (mean +/- SD) phenol concentration in urine among normal individuals living in urban areas is 7.4 +/- 2.2 mg/g of creatinine. Exposure of the skin to concentrated phenol solutions causes chemical burns which may be severe; in laboratories where it is used, it is usually recommended that polyethylene glycol solution is kept available for washing off splashes. Notwithstanding the effects of concentrated solutions, it is also used in cosmetic surgery as an exfoliant, to remove layers of dead skin (Wikipedia). In some bacteria phenol can be directly synthesized from tyrosine via the enzyme tyrosine phenol-lyase [EC:4.1.99.2]. It can be produced by Escherichia and Pseudomonas. Phenol has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). It is used as a flavouring agent in a few foods, at maximum levels below 10 ppm

   

3-Hydroxymandelic acid

2-Hydroxy-2-(3-hydroxyphenyl)acetic acid

C8H8O4 (168.0422568)


3-Hydroxymandelic acid, also known as m-hydroxymandelate or MHMA, is a 2-hydroxy monocarboxylic acid. 3-Hydroxymandelic acid is the dehydroxylated (positions 2 and 3‚Äô) derivative of phenylacetic acid. It is a white crystalline solid that is soluble in water and polar organic solvents. It derives from a mandelic acid. Mandelic acid is a substrate or product of several biochemical processes called the mandelate pathway. Mandelate racemase interconverts the two enantiomers via a pathway that involves cleavage of the alpha-CH bond. Mandelate dehydrogenase is yet another enzyme on this pathway. Mandelate also arises from trans-cinnamate via phenylacetic acid, which is hydroxylated. Derivatives of mandelic acid, such as 3-hydroxymandelic acid, are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-O-methyl transferase. m-hydroxymandelic acid or 3-hyrodxymandelic acid is a metabolic breakdown product of m-octopamine, m-synephrine (phenylephrine) and m-tyrosine. It is a naturally occuring catecholamine metabolite. Concentrations of m-hydroxymandelic acid can be elevated 20- to 30-fold in neuroblastoma patients. [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids 3-Hydroxymandelic Acid, a metabolite of Phenylephrine, Phenylephrine is a α-receptor agonist.

   

Salicylamide

Salicylamide, calcium (2:1) salt

C7H7NO2 (137.0476762)


Salicylamide is the common name for the substance o-hydroxybenzamide, or amide of salicyl. Salicylamide is a non-prescription drug with analgesic and antipyretic properties. Its medicinal uses are similar to those of aspirin. Salicylamide is used in combination with both aspirin and caffeine in the over-the-counter pain remedies N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives 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 COVID info from PDB, Protein Data Bank D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Salicylamide is an inhibitor of microsomal UDP-glucuronosyltransferase. Salicylamide is an analgesic and anti-pyretic agent.

   

3-(8,11,14-Pentadecatrienyl)phenol

3-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]phenol

C21H30O (298.229653)


3-(8,11,14-Pentadecatrienyl)phenol is found in nuts. 3-(8,11,14-Pentadecatrienyl)phenol is a constituent of lipids of Anacardium occidentale (cashew nut). Constituent of lipids of Anacardium occidentale (cashew nut). 3-(8,11,14-Pentadecatrienyl)phenol is found in nuts.

   

Cardanoldiene

3-[(8E,11E)-pentadeca-8,11-dien-1-yl]phenol

C21H32O (300.24530219999997)


Cardanoldiene is found in nuts. Cardanoldiene is a minor component of lipids of Anacardium occidentale (cashew nut

   

3-(10-Heptadecenyl)phenol

3-[(10Z)-heptadec-10-en-1-yl]phenol

C23H38O (330.2922498)


3-(10-Heptadecenyl)phenol is found in fats and oils. 3-(10-Heptadecenyl)phenol is isolated from Ginkgo biloba (ginkgo). Isolated from Ginkgo biloba (ginkgo). 3-(10-Heptadecenyl)phenol is found in fats and oils.

   

3-Pentadecylphenol

1-Hydroxy-3-pentadecylbenzene

C21H36O (304.2766006)


3-Pentadecylphenol is found in nuts. 3-Pentadecylphenol is a minor constituent of lipids of Anacardium occidentale (cashew nut). Minor constituent of lipids of Anacardium occidentale (cashew nut). 3-Pentadecylphenol is found in nuts.

   

2-(1,2-Diamino-1-propenyl)phenol

2-[(1Z)-1,2-diaminoprop-1-en-1-yl]phenol

C9H12N2O (164.09495819999998)


2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans. 2-(1,2-Diamino-1-propenyl)phenol is present in shrimp shell (Pandalus jordani) waste. Antioxidan Present in shrimp shell (Pandalus jordani) waste. Antioxidant. 2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans.

   

Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one

6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one

C13H15NO7 (297.08484799999997)


Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is found in cereals and cereal products. Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is isolated from the roots of oats (Avena sativa) and corn (Zea mays). Isolated from the roots of oats (Avena sativa) and corn (Zea mays). Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one is found in oat and cereals and cereal products.

   

3-[1-(Dimethylamino)ethyl]phenol

3-[1-(Dimethylamino)ethyl]phenol

C10H15NO (165.115358)


   

2-(2-Amino-1-hydroxyethyl)phenol

alpha-(Aminomethyl)-2-hydroxybenzenemethanol

C8H11NO2 (153.0789746)


   

2-Hydroxybenzaldehyde oxime

2-[(hydroxyimino)methyl]phenol

C7H7NO2 (137.0476762)


   
   

2-OH-benzyl

(2-hydroxyphenyl)methyl

C7H7O (107.04968720000001)


   

3-((Aminooxy)methyl)phenol

3-((Aminooxy)methyl)phenol

C7H9NO2 (139.0633254)


   

3-Hydroxybenzyl

(3-hydroxyphenyl)methyl

C7H7O (107.04968720000001)


   

3-Hydroxybenzylhydrazine

3-Hydroxybenzylhydrazine hydrochloride

C7H10N2O (138.079309)


   

N,N'-Bis(salicylidene)-1,2-phenylenediamine

2-{[(2-{[(2-hydroxyphenyl)methylidene]amino}phenyl)imino]methyl}phenol

C20H16N2O2 (316.12117159999997)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

Calix[4]arene

pentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

C28H24O4 (424.1674504)


   

Calix[6]arene

heptacyclo[31.3.1.1^{3,7}.1^{9,13}.1^{15,19}.1^{21,25}.1^{27,31}]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol

C42H36O6 (636.2511755999999)


   

Calix[8]arene

nonacyclo[43.3.1.1^{3,7}.1^{9,13}.1^{15,19}.1^{21,25}.1^{27,31}.1^{33,37}.1^{39,43}]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45,47-tetracosaen-49,50,51,52,53,54,55,56-octol

C56H48O8 (848.3349008)


   

dl-Mesatone

3-[1-hydroxy-2-(methylamino)ethyl]phenol

C9H13NO2 (167.09462380000002)


   

Etilefrine

Boehringer ingelheim brand OF etilefrine hydrochloride

C10H15NO2 (181.110273)


C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents

   

10-Hydroxy-2-oxabicyclo[6.2.2]dodeca-1(10),8,11-trien-3-one

10-Hydroxy-2-oxabicyclo[6.2.2]dodeca-1(10),8,11-trien-3-one

C11H12O3 (192.0786402)


   

Norfenefrine

Norfenefrine citrate (1:1), (R)-(R-(r*,r*))-isomer

C8H11NO2 (153.0789746)


C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists

   

Octylphenol

phenol, o-octyl-

C14H22O (206.1670562)


   

6-[Ethoxy(mercapto)methylidene]-1-cyclohexa-2,4-dienone

6-[Ethoxy(mercapto)methylidene]-1-cyclohexa-2,4-dienone

C9H10O2S (182.04014800000002)