Exact Mass: 182.0404008
Exact Mass Matches: 182.0404008
Found 500 metabolites which its exact mass value is equals to given mass value 182.0404008,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Homovanillate
CONFIDENCE standard compound; INTERNAL_ID 182 COVID info from PDB, Protein Data Bank KEIO_ID H059 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency. Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency.
1-Methyluric acid
1-Methyluric acid is one of the three main theophylline metabolites in man. 1-Methyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152, 4039734, 9890610) [HMDB] 1-Methyluric acid is one of the three main theophylline metabolites in man. 1-Methyluric acid is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline, and theobromine). Methyluric acids can be distinguished from uric acid via simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase, or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 superfamily, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis (PMID:11712316, 15833286, 3506820, 15013152, 4039734, 9890610).
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid or 4-hydroxyphenyllactate (the L-form) is a tyrosine metabolite. The level of L-hydroxyphenyllactic acid is elevated in patients with a deficiency of the enzyme p-hydroxyphenylpyruvate oxidase (EC 1.14.2.2) (PMID: 4720815). L-hydroxyphenyllactate is present in relatively higher concentrations in the cerebrospinal fluid and urine of patients with phenylketonuria (PKU) and tyrosinemia (PMID: 3126358). However, the D-form of hydroxyphenyllactate is of bacterial origin and is also found in individuals with bacterial overgrowth or unusual gut microflora (PMID: 3126358). Microbial hydroxyphenyllactate is likely derived from phenolic or polyphenolic compounds in the diet. Bifidobacteria and lactobacilli produce considerable amounts of phenyllactic and p-hydroxyphenyllactic acids (PMID: 23061754). It has also been shown that hydroxyphenyllactate decreases ROS (reactive oxygen species) production in both mitochondria and neutrophils and so hydroxyphenyllactate may function as a natural anti-oxidant (PMID: 23061754). Hydroxyphenyllactic acid is a microbial metabolite found in Acinetobacter, Bacteroides, Bifidobacteria, Bifidobacterium, Clostridium, Enterococcus, Escherichia, Eubacterium, Klebsiella, Lactobacillus, Pseudomonas and Staphylococcus (PMID: 19961416). Acquisition and generation of the data is financially supported in part by CREST/JST. Hydroxyphenyllactic acid is an antifungal metabolite.
3,4-Dihydroxyhydrocinnamic acid
3,4-Dihydroxyhydrocinnamic acid, also known as dihydrocaffeic acid (DHCA), is a metabolite product of the hydrogenation of caffeoylquinic acids, occurring in normal human biofluids, with potent antioxidant properties. DHCA has been detected in human plasma following coffee ingestion (PMID: 15607645) and is increased with some dietary sources, such as after ingestion of phenolic constituents of artichoke leaf extract (PMID: 15693705). Polyphenol-rich foods such as vegetables and fruits have been shown to significantly improve platelet function in ex vivo studies in humans (PMID: 16038718). Its antioxidant activity has been tested to reduce ferric iron in the ferric reducing antioxidant power (FRAP) assay, and it has been suggested that its catechol structure conveys the antioxidant effect in plasma and in erythrocytes (PMID: 11768243). 3,4-Dihydroxyhydrocinnamic acid is a microbial metabolite found in Bifidobacterium, Escherichia, Lactobacillus, and Clostridium (PMID: 28393285). 3,4-Dihydroxyhydrocinnamic acid (or Dihydrocaffeic acid, DHCA) is a metabolite product of the hydrogenation of caffeoylquinic acids, occurring in normal human biofluids, with potent antioxidant properties. DHCA has been detected in human plasma following coffee ingestion (PMID 15607645), and is increased with some dietary sources, such as after ingestion of phenolic constituents of artichoke leaf extract. (PMID 15693705) Polyphenol-rich foods such as vegetables and fruits have been shown to significantly improve platelet function in ex vivo studies in humans. (PMID 16038718) Its antioxidant activity has been tested to reduce ferric iron in the ferric reducing antioxidant power (FRAP) assay, and it has been suggested that its catechol structure convey the antioxidant effect in plasma and in erythrocytes. (PMID 11768243) [HMDB]. 3-(3,4-Dihydroxyphenyl)propanoic acid is found in red beetroot, common beet, and olive. KEIO_ID D047 Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1]. Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1].
2',6'-Dihydroxy-4'-methoxyacetophenone
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.
cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
3-Methoxy-4-hydroxyphenylglycolaldehyde
3-Methoxy-4-hydroxyphenylglycolaldehyde is the monoamine oxidase (MAO) aldehyde metabolite of metanephrine. Metanephrine is an O-methylated metabolite formed by catechol-O-methyltransferase (COMT) from epinephrine. Catecholamines play an important role in platelet activation and aggregation, epinephrine being the most potent one. Catecholamines are substantially increased during stress, exercise or smoking and could result in clinically important platelet activation if their action was not rapidly regulated. The inhibitory effects of methoxy phenolic derivatives on epinephrine-induced platelet aggregation may possibly be attributed to their free radical scavenging properties. There is substantial evidence to conclude that an internal rapid autoregulation of epinephrine-induced platelet aggregation, caused by its metabolic degradation products, takes place in vivo. (PMID: 11958479, 9706478) [HMDB]. 3-Methoxy-4-hydroxyphenylglycolaldehyde is found in many foods, some of which are nutmeg, peach (variety), common oregano, and olive. 3-Methoxy-4-hydroxyphenylglycolaldehyde is the monoamine oxidase (MAO) aldehyde metabolite of metanephrine. Metanephrine is an O-methylated metabolite formed by catechol-O-methyltransferase (COMT) from epinephrine. Catecholamines play an important role in platelet activation and aggregation, epinephrine being the most potent one. Catecholamines are substantially increased during stress, exercise or smoking and could result in clinically important platelet activation if their action was not rapidly regulated. The inhibitory effects of methoxy phenolic derivatives on epinephrine-induced platelet aggregation may possibly be attributed to their free radical scavenging properties. There is substantial evidence to conclude that an internal rapid autoregulation of epinephrine-induced platelet aggregation, caused by its metabolic degradation products, takes place in vivo. (PMID: 11958479, 9706478).
7-Methyluric acid
7-Methyluric acid is the minor urinary metabolites of caffeine. Caffeine is metabolized mainly in the liver undergoing demethylation and oxidation. [HMDB] 7-Methyluric acid is the minor urinary metabolites of caffeine. Caffeine is metabolized mainly in the liver undergoing demethylation and oxidation.
3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid
A 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1E,4R stereochemistry.
Methyl vanillate
Methyl vanillate is a member of the class of compounds known as m-methoxybenzoic acids and derivatives. These compounds are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. Methyl vanillate is considered to be a slightly soluble in water acidic compound. Methyl vanillate can be synthesized from vanillic acid. Vanillic acid is a phenolic acid or chlorogenic acid that is an oxidized form of vanillin. Vanillic acid is also an intermediate in the production of vanillin from ferulic acid. It is found in some forms of vanilla and many other plant extracts. It is a flavouring and scent agent that produces a pleasant, creamy odour. Vanillic acid is also found in wine and vinegar. Vanillic acid is a metabolic by-product of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea, and vanilla-flavoured confectionary. Vanillic acid selectively and specifically inhibits 5-nucleotidase activity (PMID:16899266 ). Vanillic acid is also a microbial metabolite found in several bacterial genera including Amycolatopsis, Delftia, and Pseudomonas (PMID:11152072 , 10543794 , 11728709 , 9579070 ). Methyl vanillate has been identified in foods such as cows milk (PMID:4682334) and beer (PMID:20800742). Methyl vanillate is a benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. It is a benzoate ester, a member of phenols and an aromatic ether. It is functionally related to a vanillic acid. Methyl vanillate is a natural product found in Cestrum parqui, Aristolochia elegans, and other organisms with data available. Methyl vanillate is a metabolite found in or produced by Saccharomyces cerevisiae. A benzoate ester that is the methyl ester of vanillic acid. Flavouring compound [Flavornet] Methyl vanillate, one of the ingredients in Oryza sativa Linn., is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. Methyl vanillate, one of the ingredients in Oryza sativa Linn., is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite.
Veratric
3,4-dimethoxybenzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. It has a role as a plant metabolite and an allergen. It derives from a hydride of a benzoic acid. 3,4-Dimethoxybenzoic acid is a natural product found in Hypericum laricifolium, Artemisia sacrorum, and other organisms with data available. A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3]. Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3].
Syringaldehyde
Syringaldehyde is a hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. It has a role as a hypoglycemic agent and a plant metabolite. It is a hydroxybenzaldehyde and a dimethoxybenzene. Syringaldehyde is a natural product found in Ficus septica, Mikania laevigata, and other organisms with data available. Syringaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae. A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. Syringaldehyde is a polyphenolic compound belonging to the group of flavonoids and is found in different plant species like Manihot esculenta and Magnolia officinalis[1]. Syringaldehyde moderately inhibits COX-2 activity with an IC50 of 3.5 μg/mL[2]. Anti-hyperglycemic and anti-inflammatory activities[1]. Syringaldehyde is a polyphenolic compound belonging to the group of flavonoids and is found in different plant species like Manihot esculenta and Magnolia officinalis[1]. Syringaldehyde moderately inhibits COX-2 activity with an IC50 of 3.5 μg/mL[2]. Anti-hyperglycemic and anti-inflammatory activities[1].
2,6-Dimethoxybenzoic acid
2,6-Dimethoxybenzoic acid is a member of benzenes and a carbonyl compound. 2,6-Dimethoxybenzoic acid is a natural product found in Dianthus caryophyllus, Curculigo orchioides, and Molineria capitulata with data available. 2,6-Dimethoxybenzoic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313) 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives. 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives.
Homovanillic acid (HVA)
Homovanillic acid (HVA), also known as homovanillate, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. HVA is also classified as a catechol. HVA is a major catecholamine metabolite that is produced by a consecutive action of monoamine oxidase and catechol-O-methyltransferase on dopamine. HVA is typically elevated in patients with catecholamine-secreting tumors (such as neuroblastoma, pheochromocytoma, and other neural crest tumors). HVA levels are also used in monitoring patients who have been treated for these kinds tumors. HVA levels may also be altered in disorders of catecholamine metabolism such as monoamine oxidase-A (MOA) deficiency. MOA deficiency can cause decreased urinary HVA values, while a deficiency of dopamine beta-hydrolase (the enzyme that converts dopamine to norepinephrine) can cause elevated urinary HVA values. Within humans, HVA participates in a number of enzymatic reactions. In particular, HVA and pyrocatechol can be biosynthesized from 3,4-dihydroxybenzeneacetic acid and guaiacol. This reaction is catalyzed by the enzyme known as catechol O-methyltransferase. In addition, HVA can be biosynthesized from homovanillin through the action of the enzyme known aldehyde dehydrogenase. HVA has recently been found in a number of beers and appears to arise from the fermentation process (https://doi.org/10.1006/fstl.1999.0593). HVA is also a metabolite of Bifidobacterium (PMID: 24958563) and the bacterial breakdown of dietary flavonoids. Dietary flavonols commonly found in tomatoes, onions, and tea, can lead to significantly elevated levels of urinary HVA (PMID: 20933512). Likewise, the microbial digestion of hydroxytyrosol (found in olive oil) can also lead to elevated levels of HVA in humans (PMID: 11929304). Homovanillic acid is a monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. It has a role as a human metabolite and a mouse metabolite. It is a member of guaiacols and a monocarboxylic acid. It is functionally related to a (3,4-dihydroxyphenyl)acetic acid. It is a conjugate acid of a homovanillate. Homovanillic acid is a natural product found in Aloe africana, Ginkgo biloba, and other organisms with data available. Homovanillic Acid is a monocarboxylic acid that is a catecholamine metabolite. Homovanillic acid may be used a marker for metabolic stress, tobacco usage or the presence of a catecholamine secreting tumor, such as neuroblastoma or pheochromocytoma. Homovanillic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid. See also: Ipomoea aquatica leaf (part of). Homovanillic acid is a major catecholamine metabolite. 3-Methoxy-4-hydroxyphenylacetic acid is found in beer, olive, and avocado. A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency. Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency.
2',4'-Dihydroxy-6'-methoxyacetophenone
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.
3-(2,4-Dihydroxyphenyl)propanoic acid
3-(2,4-Dihydroxyphenyl)propanoic acid belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 3-(2,4-Dihydroxyphenyl)propanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). BioTransformer predicts that 3-(2,4-dihydroxyphenyl)propanoic acid is a product of 3-(2,4-dihydroxyphenyl)prop-2-enoic acid metabolism via a reduction-of-alpha-beta-unsaturated-compounds-pattern1 reaction occurring in human gut microbiota and catalyzed by the abkar1 enzyme (PMID: 30612223). 3-(2,4-Dihydroxyphenyl)propanoic acid (DPPacid) is a potent and competitive tyrosinase inhibitor, inhibits L-Tyrosine and DL-DOPA with an IC50 and a Ki of 3.02 μM and 11.5 μM, respectively[1]. 3-(2,4-Dihydroxyphenyl)propanoic acid (DPPacid) is a potent and competitive tyrosinase inhibitor, inhibits L-Tyrosine and DL-DOPA with an IC50 and a Ki of 3.02 μM and 11.5 μM, respectively[1].
9-Methyluric acid
9-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 9-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 9-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 9-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID:11712316, 15833286, 3506820, 15013152).
Isohomovanillic acid
Isohomovanillic acid is a deaminated metabolite of catecholamines formed by the enzyme catechol-O-methyltransferase (COMT; EC 2.1.1.6) which catalyzes the transfer of a methyl group from S-adenosylmethionine to catecholamines, including the neurotransmitters dopamine, epinephrine, and norepinephrine. This O-methylation results in one of the major degradative pathways of the catecholamine transmitters. (OMIM 116790) [HMDB] Isohomovanillic acid is a deaminated metabolite of catecholamines formed by the enzyme catechol-O-methyltransferase (COMT; EC 2.1.1.6) which catalyzes the transfer of a methyl group from S-adenosylmethionine to catecholamines, including the neurotransmitters dopamine, epinephrine, and norepinephrine. This O-methylation results in one of the major degradative pathways of the catecholamine transmitters. (OMIM 116790). Isohomovanillic acid (3-Hydroxy-4-methoxyphenylacetic acid) is extracted from urine at pH 2 by ethyl acetate. Isohomovanillic acid is not found in appreciable values in many normal human urines[1].
3,5-Dimethoxybenzoic acid
3,5-Dimethoxybenzoic acid, isolated from Melia azedarach L. leaves with antifungal activity, is an intermediate in organic synthesis[1]. 3,5-Dimethoxybenzoic acid, isolated from Melia azedarach L. leaves with antifungal activity, is an intermediate in organic synthesis[1].
3,4-Dimethoxybenzoic acid
3,4-dimethoxybenzoic acid, also known as veratric acid or 3,4-dimethylprotocatechuic acid, belongs to P-methoxybenzoic acids and derivatives class of compounds. Those are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. 3,4-dimethoxybenzoic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dimethoxybenzoic acid can be synthesized from benzoic acid. 3,4-dimethoxybenzoic acid is also a parent compound for other transformation products, including but not limited to, 3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one, 3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one, and 3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one. 3,4-dimethoxybenzoic acid can be found in coriander and olive, which makes 3,4-dimethoxybenzoic acid a potential biomarker for the consumption of these food products. 3,4-dimethoxybenzoic acid belongs to the family of M-methoxybenzoic Acids and Derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3]. Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3].
3,5-Dihydroxyphenylpropionic acid
3,5-Dihydroxyphenylpropionic acid (3,5-DHPPA) is an alkylresorcinol metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 15282102). BioTransformer predicts that 3,5-DHPPA is a product of 3,5-dihydroxycinnamic acid metabolism via a reduction-of-alpha-beta-unsaturated-compounds-pattern1 reaction occurring in human gut microbiota and catalyzed by the abkar1 enzyme (PMID: 30612223).
(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid
(S)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid is found in herbs and spices. (S)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid is a constituent of the pollen of Crocus sativus (saffron). Constituent of the fruit of Prunus cerasus (cherry). (±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid is found in fruits.
3-Methyluric acid
3-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 3-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 3-Methyluric acid is a methyl derivative of uric acid, found occasionally in human urine. 3-Methyluracil is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152).
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid (HPHPA) is an organic acid detected in human urine. It is relatively abundant in adult human urine and it is normally relatively benign. It is thought that the presence of this acid is from nutritional sources (i.e. dietary phenylalanine or polyphenols). However, there has been a considerable degree of ambiguity in the origin and/or significance of this compound (PMID:11978597). Recently, it has been reported that HPHPA is actually an abnormal phenylalanine metabolite arising from bacterial metabolism in the gastrointestinal tract. Specifically, HPHPA appears to arise from the action of the anaerobic bacteria Clostridia sp. (PMID:20423563; PMID:24063620). Elevated levels of HPHPA have been reported in the urine of children with autism as well as in adult patients with schizophrenia. It has been proposed that HPHPA may be a bacterial metabolite of m-tyrosine, a tyrosine analog that causes symptoms of autism in experimental animals. Under certain conditions, HPHPA can act as a neurotoxin and a metabotoxin. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of HPHPA are associated with autism and schizophrenia. The mechanism by which HPHPA exerts its toxic effects is not clear. It may function as a catecholamine analog and disrupt catecholamine signalling, especially in younger individuals. Alternately, HPHPA may function as an amino acid analog to tyrosine and phenylalanine. High plasma concentrations of phenylalanine (and possibly HPHPA) are known to influence the blood-brain barrier transport of large neutral amino acids. This altered transport is believed to interfere with the function of different cerebral enzyme systems in the developing brain. Studies have shown that higher levels of HPHPA are associated with overgrowth of Clostridia in the gut, including Clostridium difficile, Clostridium sporogenes, Clostridium botulinum, Clostridium calortolerans, Clostridium mangenoyi, Clostridium ghoni, Clostridium bifermentans, Clostridium sordelli. (PMID:20423563; PMID:24063620) (3-Hydroxyphenyl)hydracrylate (HPHPA) is an organic acid detected in human urine. It is thought that the presence of this acid is from nutritional sources (i.e. dietary phenylalanine). However, there has been a considerable degree of ambiguity in the origin and/or significance of this compound (PMID:11978597). Recently it has been reported that HPHPA is actually an abnormal phenylalanine metabolite arising from bacterial metabolism in the gastrointestinal tract. Specifically HPHPA appears to arise from the action of the anaerobic bacteria Clostrida species (PMID:20423563). Elevated levels of HPHPA have been reported in the urine of children with autism as well as in adult patients with schizophrenia. It has been proposed that HPHPA may be a bacterial metabolite of m-tyrosine, a tyrosine analog that causes symptoms of autism in experimental animals. [HMDB]
3-Hydroxyphenyllactate
3-hydroxyphenyllactate is a compound produced by gut (fecal fermentation) of tea or wine
Dipropyl trisulfide
Dipropyl trisulfide is found in garden onion. Dipropyl trisulfide is a component of onion oil. Dipropyl trisulfide is a flavouring ingredient. Component of onion oil. Flavouring ingredient. Dipropyl trisulfide is found in garden onion and onion-family vegetables.
Ethyl 1-(ethylthio)ethyl disulfide
Ethyl 1-(ethylthio)ethyl disulfide is found in fruits. Ethyl 1-(ethylthio)ethyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl 1-(ethylthio)ethyl disulfide is found in fruits.
Maltol propionate
Maltol propionate is a flavouring agent. Flavouring agent
Ethyl 1-(methylthio)propyl disulfide
Ethyl 1-(methylthio)propyl disulfide is found in onion-family vegetables. Ethyl 1-(methylthio)propyl disulfide is a constituent of shallots (Allium cepa) and Chinese chives (Allium tuberosum). Constituent of shallots (Allium cepa) and Chinese chives (Allium tuberosum). Ethyl 1-(methylthio)propyl disulfide is found in garden onion and onion-family vegetables.
1,1'-Thiobis-1-propanethiol
1,1-Thiobis-1-propanethiol 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
Ethionamide sulphoxide
Ethionamide sulphoxide is a metabolite of ethionamide. Ethionamide (2-ethylthioisonicotinamide, Trecator SC) is an antibiotic used in the treatment of tuberculosis. Ethionamide works to induce expression of EthA, a NAD derivative which is toxic to fungi. The resistance mechanism of this drug is through EthR, resistance is common. Therefore, EthR inhibitors are of great interest. It is a prodrug. It has been proposed for use in combination with gatifloxacin. The action may be through disruption of mycolic acid. (Wikipedia)
Meta-hydroxyphenylhydracrylic Acid
Meta-hydroxyphenylhydracrylic Acid is considered to be slightly soluble (in water) and acidic
Ethyl 3,4-dihydroxybenzoate
Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4]. Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4]. Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4].
6-[Ethoxy(mercapto)methylidene]-1-cyclohexa-2,4-dienone
Diisopropyl trisulfide
Diisopropyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR (R,R=alkyl, aryl). Diisopropyl trisulfide is a garlic and sulfury tasting compound found in garden onion, which makes diisopropyl trisulfide a potential biomarker for the consumption of this food product.
Me ester-4-Ethyl-2-oxo-2H-pyran-6-carboxylic acid , 9CI
Shanorellin
A member of the class monohydroxy-1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2, 3, 5 and 6 are replaced by hydroxy, methyl, methyl and hydroxymethyl groups, respectively. It is a secondary metabolite synthesized by several fungi of the Ascomycota phylum.
Ubiquinone Q0
Coenzyme Q0 (CoQ0) is a potent, oral active ubiquinone compound can be derived from Antrodia cinnamomea. Coenzyme Q0 induces apoptosis and autophagy, suppresses of HER-2/AKT/mTOR signaling to potentiate the apoptosis and autophagy mechanisms. Coenzyme Q0 regulates NFκB/AP-1 activation and enhances Nrf2 stabilization in attenuation of inflammation and redox imbalance. Coenzyme Q0 has anti-angiogenic activity through downregulation of MMP-9/NF-κB and upregulation of HO-1 signaling[1][2][3].
5-Methylorsellinic acid
A dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 5 is substituted by a methyl group.
3,4-Dihydroxyhydrocinnamic acid
3,4-Dihydroxyhydrocinnamic acid, also known as dihydrocaffeic acid (DHCA), is a metabolite product of the hydrogenation of caffeoylquinic acids, occurring in normal human biofluids, with potent antioxidant properties. DHCA has been detected in human plasma following coffee ingestion (PMID: 15607645) and is increased with some dietary sources, such as after ingestion of phenolic constituents of artichoke leaf extract (PMID: 15693705). Polyphenol-rich foods such as vegetables and fruits have been shown to significantly improve platelet function in ex vivo studies in humans (PMID: 16038718). Its antioxidant activity has been tested to reduce ferric iron in the ferric reducing antioxidant power (FRAP) assay, and it has been suggested that its catechol structure conveys the antioxidant effect in plasma and in erythrocytes (PMID: 11768243). 3,4-Dihydroxyhydrocinnamic acid is a microbial metabolite found in Bifidobacterium, Escherichia, Lactobacillus, and Clostridium (PMID: 28393285). 3,4-Dihydroxyhydrocinnamic acid (or Dihydrocaffeic acid, DHCA) is a metabolite product of the hydrogenation of caffeoylquinic acids, occurring in normal human biofluids, with potent antioxidant properties. DHCA has been detected in human plasma following coffee ingestion (PMID 15607645), and is increased with some dietary sources, such as after ingestion of phenolic constituents of artichoke leaf extract. (PMID 15693705) Polyphenol-rich foods such as vegetables and fruits have been shown to significantly improve platelet function in ex vivo studies in humans. (PMID 16038718) Its antioxidant activity has been tested to reduce ferric iron in the ferric reducing antioxidant power (FRAP) assay, and it has been suggested that its catechol structure convey the antioxidant effect in plasma and in erythrocytes. (PMID 11768243) [HMDB]. 3-(3,4-Dihydroxyphenyl)propanoic acid is found in red beetroot, common beet, and olive. 3-(3,4-dihydroxyphenyl)propanoic acid is a monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity. It has a role as an antioxidant and a human xenobiotic metabolite. It is functionally related to a 3-phenylpropionic acid. It is a conjugate acid of a 3-(3,4-dihydroxyphenyl)propanoate. 3-(3,4-Dihydroxyphenyl)propionic acid is a natural product found in Liatris elegans, Polyscias murrayi, and other organisms with data available. Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1]. Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1].
methylorsellinate
Orsellinic acid methyl ester is a hydroxybenzoic acid. It has a role as a metabolite. Methyl 2,4-dihydroxy-6-methylbenzoate is a natural product found in Blasia pusilla, Sparassis crispa, and other organisms with data available. A natural product found in Rhododendron ferrugineum.
VCONERRCKOKCHE-UHFFFAOYSA-N
1-(2,3-Dihydroxy-4-methoxyphenyl)ethanone is a natural product found in Paeonia suffruticosa with data available. 2,3-Dihydroxy-4-methoxyacetophenone is a neuroprotective compound from Cynenchum paniculatum. 2,3-Dihydroxy-4-methoxyacetophenone improves cognitive function and may has the potential for the treatment of Alzheimer's disease research[1]. 2,3-Dihydroxy-4-methoxyacetophenone is a neuroprotective compound from Cynenchum paniculatum. 2,3-Dihydroxy-4-methoxyacetophenone improves cognitive function and may has the potential for the treatment of Alzheimer's disease research[1].
3,5-DimethoxybenzoicAcid
3,5-dimethoxybenzoic acid is a methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has a role as a plant metabolite. It is a conjugate acid of a 3,5-dimethoxybenzoate. 3,5-Dimethoxybenzoic acid is a natural product found in Melia azedarach and Calophyllum polyanthum with data available. A methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. 3,5-Dimethoxybenzoic acid, isolated from Melia azedarach L. leaves with antifungal activity, is an intermediate in organic synthesis[1]. 3,5-Dimethoxybenzoic acid, isolated from Melia azedarach L. leaves with antifungal activity, is an intermediate in organic synthesis[1].
2,5-Dimethoxybenzoicacid
2,5-Dimethoxybenzoic acid is an intermediate used in the synthesis of the galbulimima alkaloid GB 13[1].
Homovanillate
Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency. Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency.
dl-4-hydroxyphenyllactic acid
CONFIDENCE standard compound; INTERNAL_ID 294
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid is a tyrosine metabolite. It is carcinogenic. The level of hydroxyphenyllactic acid is elevated in patients with deficiency of the enzyme p-hydroxyphenylpyruvate oxidase (EC 1.14.2.2). (PMID 4720815) [HMDB] Hydroxyphenyllactic acid is an antifungal metabolite.
Homovanillic Acid
Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency. Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency.
Hydrocaffeate
Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1]. Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1].
1-Methyluric acid
An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by a methyl group at N-1. It is one of the metabolites of caffeine found in human urine.
3-(4-Hydroxyphenyl)lactic acid
A 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
4-O-Methylphloracetophenone
A member of the class of acetophenones that is 2,4,6-trihydroxyacetophenone in which the hydroxy group at position 4 is replaced by a methoxy group.
4-Nitroanthranilic acid
CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3787; ORIGINAL_PRECURSOR_SCAN_NO 3785 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3808; ORIGINAL_PRECURSOR_SCAN_NO 3805 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3790; ORIGINAL_PRECURSOR_SCAN_NO 3785 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3777; ORIGINAL_PRECURSOR_SCAN_NO 3775 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3856; ORIGINAL_PRECURSOR_SCAN_NO 3855 CONFIDENCE standard compound; INTERNAL_ID 394; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3797; ORIGINAL_PRECURSOR_SCAN_NO 3793
2,6-Dimethoxybenzoic acid
CONFIDENCE standard compound; INTERNAL_ID 599; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6415; ORIGINAL_PRECURSOR_SCAN_NO 6412 CONFIDENCE standard compound; INTERNAL_ID 599; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6444; ORIGINAL_PRECURSOR_SCAN_NO 6442 CONFIDENCE standard compound; INTERNAL_ID 599; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6448; ORIGINAL_PRECURSOR_SCAN_NO 6446 CONFIDENCE standard compound; INTERNAL_ID 599; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6463; ORIGINAL_PRECURSOR_SCAN_NO 6460 CONFIDENCE standard compound; INTERNAL_ID 599; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6470; ORIGINAL_PRECURSOR_SCAN_NO 6466 CONFIDENCE standard compound; INTERNAL_ID 599; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6472; ORIGINAL_PRECURSOR_SCAN_NO 6470 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives. 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives.
3-METHYLORSELLINIC ACID
A dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 3 is substituted by a methyl group.
3-Hydroxy-4-methoxyphenylacetic acid
Isohomovanillic acid (3-Hydroxy-4-methoxyphenylacetic acid) is extracted from urine at pH 2 by ethyl acetate. Isohomovanillic acid is not found in appreciable values in many normal human urines[1].
6-chloro-3,4-dihydro-1H-quinoxalin-2-one
C8H7ClN2O (182.02468819999999)
8-Chloro-6-Methyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
2-CHLORO-4-METHOXY-1H-BENZIMIDAZOLE
C8H7ClN2O (182.02468819999999)
(7-Chloro-1H-indazol-4-yl)methanol
C8H7ClN2O (182.02468819999999)
3-Chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
C8H7ClN2O (182.02468819999999)
4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
2-Methyl-5-Chloro-6-Benzoxazolamine
C8H7ClN2O (182.02468819999999)
4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLIC ACID
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1,6-dimethyl
6-Chloro-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine
(1R,2S)-1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLICACIDETHYLESTER
3-Chloro-7-methoxy-1H-pyrrolo[3,2-b]pyridine
C8H7ClN2O (182.02468819999999)
7-Chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridine
C8H7ClN2O (182.02468819999999)
2-CHLORO-1H-BENZIMIDAZOLE-6-METHANOL
C8H7ClN2O (182.02468819999999)
(5-CHLORO-1H-INDAZOL-3-YL)METHANOL
C8H7ClN2O (182.02468819999999)
2(1H)-Quinoxalinone,7-chloro-3,4-dihydro-
C8H7ClN2O (182.02468819999999)
7-Chloro-5-methyl-1H-pyrazolo[4,3-b]pyridin-3-amine
7-Chloro-5-methoxy-1H-pyrrolo[2,3-c]pyridine
C8H7ClN2O (182.02468819999999)
2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-5-one
C8H7ClN2O (182.02468819999999)
2-chloro-4-ethoxypyridine-3-carbonitrile
C8H7ClN2O (182.02468819999999)
4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid
(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanol
C8H7ClN2O (182.02468819999999)
5-Chloro-4-methoxy-1H-pyrrolo[2,3-b]pyridine
C8H7ClN2O (182.02468819999999)
6-Amino-7-fluoro-2H-1,4-benzoxazin-3(4H)-one
C8H7FN2O2 (182.04915340000002)
5-Chloro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
C8H7ClN2O (182.02468819999999)
2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
3-methylsulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
2-Chloro-5-methoxy-1H-benzimidazole
C8H7ClN2O (182.02468819999999)
7-Chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
2-Chloro-3-cyano-6-methoxy-4-methyllpyridine
C8H7ClN2O (182.02468819999999)
2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane
4-CHLORO-5-METHOXY-1H-PYRROLO[2,3-B]PYRIDINE
C8H7ClN2O (182.02468819999999)
5-(TRIFLUOROMETHYL)DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
5-chloro-3,4-dihydro-1H-quinoxalin-2-one
C8H7ClN2O (182.02468819999999)
2-amino-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Benzoic acid, 4-(aminoiminomethyl)-2-fluoro- (9CI)
C8H7FN2O2 (182.04915340000002)
4,6-difluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE
C8H7ClN2O (182.02468819999999)
7-Chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine
1H-INDAZOLE-3-CARBOXALDEHYDE HYDROCHLORIDE
C8H7ClN2O (182.02468819999999)
6-carbamoyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
acetamide, N-(2-fluorophenyl)-2-(hydroxyimino)-, (2E)-
C8H7FN2O2 (182.04915340000002)
1H-Benzimidazole-2-methanol,6-chloro-
C8H7ClN2O (182.02468819999999)
6-chloro-imidazo[1,2-a]pyridine-2-Methanol
C8H7ClN2O (182.02468819999999)
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-fluoro- (9CI)
3-AMINO-6-METHYL-THIAZOLO[3,2-B][1,2,4]TRIAZIN-7-ONE
2-THIOXO-2,3,5,6,7,8-HEXAHYDROQUINAZOLIN-4(1H)-ONE
2-(methylsulfanyl)-1H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
6-OXO-1,6-DIHYDRO-PYRAZINE-2,3-DICARBOXYLIC ACID DIAMIDE
7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one
C8H7ClN2O (182.02468819999999)
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-methoxy-3,5-dimethyl-
(2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
HYKOP
Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1]. Dihydrocaffeic acid is a microbial metabolite of flavonoids, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1].
AI3-28796
Syringaldehyde is a polyphenolic compound belonging to the group of flavonoids and is found in different plant species like Manihot esculenta and Magnolia officinalis[1]. Syringaldehyde moderately inhibits COX-2 activity with an IC50 of 3.5 μg/mL[2]. Anti-hyperglycemic and anti-inflammatory activities[1]. Syringaldehyde is a polyphenolic compound belonging to the group of flavonoids and is found in different plant species like Manihot esculenta and Magnolia officinalis[1]. Syringaldehyde moderately inhibits COX-2 activity with an IC50 of 3.5 μg/mL[2]. Anti-hyperglycemic and anti-inflammatory activities[1].
AIDS-018090
2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives. 2,6-Dimethoxybenzoic acid is a member of organic compounds known as o-methoxybenzoic acids and derivatives.
AIDS-108197
Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4]. Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4]. Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4].
Argobyl
C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent Flopropione is a 5-HT receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor[1][2]. Flopropione also as an antispasmodic agent[3]. Flopropione is a 5-HT receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor[1][2]. Flopropione also as an antispasmodic agent[3]. Flopropione is a 5-HT receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor[1][2]. Flopropione also as an antispasmodic agent[3].
93-07-2
Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3]. Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3].
DA-0613
Methyl isovanillate is a secondary metabolite isolated from Vitex agnus-castus[1]. Methyl isovanillate is a secondary metabolite isolated from Vitex agnus-castus[1].
Coenzyme Q0
Coenzyme Q0 (CoQ0) is a potent, oral active ubiquinone compound can be derived from Antrodia cinnamomea. Coenzyme Q0 induces apoptosis and autophagy, suppresses of HER-2/AKT/mTOR signaling to potentiate the apoptosis and autophagy mechanisms. Coenzyme Q0 regulates NFκB/AP-1 activation and enhances Nrf2 stabilization in attenuation of inflammation and redox imbalance. Coenzyme Q0 has anti-angiogenic activity through downregulation of MMP-9/NF-κB and upregulation of HO-1 signaling[1][2][3].
4-Acetyl-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate
(2R)-2-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetaldehyde
4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
(E)-3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid
(2R,6Z)-2-hydroxy-6-(hydroxymethylidene)-2,5-dimethylcyclohex-4-ene-1,3-dione
Phosphoric acid (E)-3-methyl-4-hydroxy-2-butenyl ester
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid
(R)-2-hydroxy-4-(hydroxymethylphosphinyl)butyric acid
5-Nitroanthranilic acid
An aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group.
4-Pyridoxate
A pyridoxate that is the conjugate base of 4-pyridoxic acid, obtained by deprotonation of the carboxy group.
5-Pyridoxate
A pyridoxate that is the conjugate base of 5-pyridoxic acid, obtained by deprotonation of the carboxy group.
ethionamide S-oxide
A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide.