Exact Mass: 124.0524
Exact Mass Matches: 124.0524
Found 500 metabolites which its exact mass value is equals to given mass value 124.0524,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Hydroxybenzyl alcohol
4-hydroxybenzyl alcohol is the cleavage product produced during the biosynthesis of the thiazole moiety of thiamine from tyrosine as part of the thiamine biosynthesis pathway. It is a derivative of benzyl alcohol which is used as a local anesthetic and to reduce pain associated with Lidocaine injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutical aid, and in perfumery and flavoring. Benzyl Alcohol is an aromatic alcohol used in a wide variety of cosmetic formulations as a fragrance component, preservative, solvent, and viscosity-decreasing agent. Benzyl Alcohol is metabolized to Benzoic Acid, which reacts with glycine and excreted as hippuric acid in the human body. Acceptable daily intakes were established by the World Health Organization at 5 mg/kg for Benzyl Alcohol. No adverse effects of benzyl alcohol have been seen in chronic exposure animal studies using rats and mice. Effects of Benzyl Alcohol in chronic exposure animal studies are limited to reduced feed intake and reduced growth. Some differences have been noted in one reproductive toxicity study using mice, but these were limited to lower maternal body weights and decreased mean litter weights. Another study also noted that fetal weight was decreased compared to controls, but a third study showed no differences between control and benzyl alcohol-treated groups. Benzyl Alcohol has been associated with an increased number of resorptions and malformations in hamsters, but there have been no reproductive or developmental toxicity findings in studies using mice and rats. Genotoxicity tests for benzyl alcohol are mostly negative, but there were some assays that were positive. Carcinogenicity studies, however, were negative. Clinical data indicates that benzyl alcohol can produce nonimmunologic contact urticaria and nonimmunologic immediate contact reactions, characterized by the appearance of wheals, erythema, and pruritis. 5\\\\% benzyl alcohol can elicit a reaction. Benzyl Alcohol is not a sensitizer at 10\\\\%. Benzyl Alcohol could be used safely at concentrations up to 5\\\\%, but that manufacturers should consider the nonimmunologic phenomena when using benzyl alcohol in cosmetic formulations designed for infants and children. Additionally, Benzyl Alcohol is considered safe up to 10\\\\% for use in hair dyes. The limited body exposure, the duration of use, and the frequency of use are considered in concluding that the nonimmunologic reactions would not be a concern. Because of the wide variety of product types in which benzyl alcohol may be used, it is likely that inhalation may be a route of exposure. The available safety tests are not considered sufficient to support the safety of benzyl alcohol in formulations where inhalation is a route of exposure. Inhalation toxicity data are needed to complete the safety assessment of benzyl alcohol where inhalation can occur. (PMID: 11766131). P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of phenols and a member of benzyl alcohols. 4-Hydroxybenzyl alcohol is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). 4-Hydroxybenzyl alcohol is a natural product found in Populus laurifolia, Mesua, and other organisms with data available. Constituent of muskmelon (Cucurbita moschata) 4-Hydroxybenzyl alcohol is a phenolic compound widely distributed in various kinds of plants. Anti-inflammatory, anti-oxidant, anti-nociceptive activity. Neuroprotective effect. Inhibitor of tumor angiogenesis and growth[1][2][3][4]. 4-Hydroxybenzyl alcohol is a phenolic compound widely distributed in various kinds of plants. Anti-inflammatory, anti-oxidant, anti-nociceptive activity. Neuroprotective effect. Inhibitor of tumor angiogenesis and growth[1][2][3][4].
Orcinol
Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene. Orcinol is a natural product found in Calluna vulgaris, Rumex patientia, and other organisms with data available. A 5-alkylresorcinol in which the alkyl group is specified as methyl. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.272 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.266 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.263 KEIO_ID O013
Guaiacol
O-methoxyphenol appears as colorless to amber crystals or liquid. Density (of solid) 1.129 g / cm3. Solidifies at 28 °C (82.4 °F), but may remain liquid for a long time even at a much lower temperature. Slightly water soluble. Soluble in aqueous sodium hydroxide. Used medicinally as an expectorant. Used, because of its anti-oxidant properties, as an anti-skinning agent for paints. Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as an expectorant, a disinfectant, a plant metabolite and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It is functionally related to a catechol. Guaiacol is an agent thought to have disinfectant properties and used as an expectorant. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin. Guaiacol is also present in wood smoke, as a product of pyrolysis of lignin. Guaiacol has been found in the urine of patients with neuroblastoma and pheochromocytoma. Guaiacol is a natural product found in Verbascum lychnitis, Castanopsis cuspidata, and other organisms with data available. Guaiacol is a phenolic compound with a methoxy group and is the monomethyl ether of catechol. Guaiacol is readily oxidized by the heme iron of peroxidases including the peroxidase of cyclooxygenase (COX) enzymes. It therefore serves as a reducing co-substrate for COX reactions. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin. It is a yellowish aromatic oil that is now commonly derived from guaiacum or wood creosote. It is used medicinally as an expectorant, antiseptic, and local anesthetic. Guaiacol is used in traditional dental pulp sedation, and has the property of inducing cell proliferation; guaiacol is a potent scavenger of reactive oxygen radicals and its radical scavenging activity may be associated with its effect on cell proliferation. Guaiacol is also used in the preparation of synthetic vanillin. Guaiacol is also present in wood smoke, as a product of pyrolysis of lignin. Guaiacol has been found in the urine of patients with neuroblastoma and pheochromocytoma. (A3556, A3559). 2-methoxyphenol is a metabolite found in or produced by Saccharomyces cerevisiae. An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747) See also: Wood Creosote (part of); Tolu balsam (USP) (part of). Guaiacol is a phenolic compound with a methoxy group and is the monomethyl ether of catechol. Guaiacol is readily oxidized by the heme iron of peroxidases including the peroxidase of cyclooxygenase (COX) enzymes. It therefore serves as a reducing co-substrate for COX reactions. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin. It is a yellowish aromatic oil that is now commonly derived from guaiacum or wood creosote. It is used medicinally as an expectorant, antiseptic, and local anesthetic. Guaiacol is used in traditional dental pulp sedation, and has the property of inducing cell proliferation; guaiacol is a potent scavenger of reactive oxygen radicals and its radical scavenging activity may be associated with its effect on cell proliferation. Guaiacol is also used in the preparation of synthetic vanillin. Guaiacol is also present in wood smoke, as a product of pyrolysis of lignin. Guaiacol has been found in the urine of patients with neuroblastoma and pheochromocytoma. (PMID 4344880, 16152729). Present in Parmesan cheese, tea and soybean. Flavouring ingredient. 2-Methoxyphenol is found in many foods, some of which are milk and milk products, asparagus, pepper (c. annuum), and wild celery. R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent C78273 - Agent Affecting Respiratory System > C29767 - Expectorant Guaiacol, a phenolic compound, inhibits LPS-stimulated COX-2 expression and NF-κB activation[1]. Anti-inflammatory activity[1]. Guaiacol, a phenolic compound, inhibits LPS-stimulated COX-2 expression and NF-κB activation[1]. Anti-inflammatory activity[1].
2-Hydroxybenzyl alcohol
Salicyl alcohol, also known as saligenin or 2-hydroxybenzyl alcohol, is a member of the class of compounds known as benzyl alcohols. Benzyl alcohols are organic compounds containing the phenylmethanol substructure. Salicyl alcohol is soluble (in water) and a very weakly acidic compound (based on its pKa). Salicyl alcohol can be synthesized from phenol and benzyl alcohol. Salicyl alcohol can also be synthesized into salicin. Salicyl alcohol can be found in a number of food items such as red huckleberry, rye, jerusalem artichoke, and ceylon cinnamon, which makes salicyl alcohol a potential biomarker for the consumption of these food products. Salicyl alcohol (saligenin) is precursor of salicylic acid and is formed from salicin by enzymatic hydrolysis by Salicyl-alcohol beta-D-glucosyltransferase or by acid hydrolysis . 2-Hydroxybenzyl alcohol (CAS Number 90-01-7) is a stable light brown crystalline powder. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent Salicyl alcohol is an intermediate for medicine, perfume, pesticide. Salicyl alcohol is an intermediate for medicine, perfume, pesticide.
3-hydroxybenzyl alcohol
A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. KSD 2405 is an endogenous metabolite.
4-Methylcatechol
A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D002273 - Carcinogens 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
3-Methylcatechol
3-methylcatechol, also known as 2,3-dihydroxytoluene or 2,3-toluenediol, is a member of the class of compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. 3-methylcatechol is soluble (in water) and a very weakly acidic compound (based on its pKa). 3-methylcatechol can be found in arabica coffee, beer, cocoa powder, and coffee, which makes 3-methylcatechol a potential biomarker for the consumption of these food products. 3-methylcatechol is a chemical compound . 3-Methylcatechol is a building block in the chemical synthesis produced by Pseudomonas putida MC2[1]. 3-Methylcatechol is a building block in the chemical synthesis produced by Pseudomonas putida MC2[1].
Methylimidazole acetaldehyde
Methyimidazole acetaldehyde is a metabolite of histamine. The metabolites of ethanol and acetaldehyde can successfully compete with methylimidazole acetaldehyde, since the alcohol and histamine metabolic pathways in the body have two enzymes in common, aldehyde dehydrogenase and aldehyde oxidase. (PMID: 10344773) [HMDB] Methyimidazole acetaldehyde is a metabolite of histamine. The metabolites of ethanol and acetaldehyde can successfully compete with methylimidazole acetaldehyde, since the alcohol and histamine metabolic pathways in the body have two enzymes in common, aldehyde dehydrogenase and aldehyde oxidase. (PMID: 10344773).
Ethyl methanesulfonate
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
Pyrazin-2-carboxylic acid
Pyrazin-2-carboxylic acid belongs to the family of Pyrazine Carboxylic Acids and Derivatives. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid group.
Mequinol
Hydroquinone monomethyl ether appears as pink crystals or white waxy solid. (NTP, 1992) P-methoxyphenol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite. Mequinol is a phenol used in various applications. It is used as an inhibitor for acrylic monomers and acrylonitirles, as a stabilizer for chlorinated hydrocarbons and ethyl cellulose, as an ultraviolet inhibitor, as a chemical intermediate in the manufacture of antioxidants, pharmaceuticals, plasticizers, and dyestuffs. It is found as an active ingredient in topical drugs used for skin depigmentation indicated for the treatment of solar lentigines. Mequinol is a Skin Lightening Agent. The mechanism of action of mequinol is as a Melanin Synthesis Inhibitor. The physiologic effect of mequinol is by means of Depigmenting Activity. 4-Methoxyphenol is a natural product found in Origanum majorana, Ascia monuste, and other organisms with data available. Mequinol is a synthetic derivate of hydroquinone and depigmenting agent. Although the exact mechanism of the depigmenting effects of mequinol remains unclear, it may exert its effect by oxidation of tyrosinase to cytotoxic products in melanocytes. Mequinol may also act by competitively inhibiting the formation of melanin precursors. See also: Anoxomer (monomer of). Mequinol is a drug used in combination with the drug tretinoin in the treatment of liver spots. Mequinol used alone and in higher doses is used as a topical drug for medical depigmentation. Mequinol is found in sweet marjoram and anise. Mequinol is found in anise. Mequinol is a drug used in combination with the drug tretinoin in the treatment of liver spots. Mequinol used alone and in higher doses is used as a topical drug for medical depigmentation. (Wikipedia D020011 - Protective Agents > D000975 - Antioxidants A natural product found in Cordyceps sinensis. C78284 - Agent Affecting Integumentary System D000970 - Antineoplastic Agents D - Dermatologicals Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1] Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1]
3-Hydroxybenzyl alcohol
3-Hydroxybenzyl alcohol (CAS Number 620-24-6) is a hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. It is a pink or beige to brown crystalline powder, soluble in water. KSD 2405 is an endogenous metabolite.
4-Methylcatechol
4-Methylcatechol, also known as homocatechol or toluene-3,4-diol, belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Outside of the human body, 4-Methylcatechol is found, on average, in the highest concentration within a few different foods such as coffee and cocoa powders and in a lower concentration in beers. 4-Methylcatechol has also been detected, but not quantified in eggplants. This could make 4-methylcatechol a potential biomarker for the consumption of these foods. Recent studies have suggested that a lack of brain-derived neurotrophic factor (BDNF) in the limbic system may cause neuropathic pain (PMID:22198556). It is both a substrate and a suicide inhibitor of catechol 2,3-dioxygenase (PMID:15006807). 4-Methylcatechol is a metabolite of homoprotocatechuic acid (PMID:4974346). 4-Methylcatechol is known to induce the production of BDNF. 4-methylcatechol is a metabolite of homoprotocatechuic acid. It is both a substrate and a suicide inhibitor of Catechol 2,3-dioxygenase [EC 1.3.11.2]. (PMID 15006807) [HMDB]. 4-Methyl-1,2-benzenediol is found in many foods, some of which are coffee, beer, arabica coffee, and cocoa powder. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
2-Butylfuran
2-Butylfuran is a constituent of numerous plant species and cooked foods including chick pea and carob bean. Constituent of numerous plant subspecies and cooked foods including chick pea and carob bean
1-(2-Furanyl)-1-propanone
Constituent of fruits of Psidium guajava (guava), Zizania aquatica seed (wild rice) and Ceratonia siliqua (carob bean), and of baked potato, and cooked meat (sukiyaki) volatiles. 1-(2-Furanyl)-1-propanone is found in many foods, some of which are animal foods, fruits, cereals and cereal products, and potato. 1-(2-Furanyl)-1-propanone is found in animal foods. 1-(2-Furanyl)-1-propanone is a constituent of fruits of Psidium guajava (guava), Zizania aquatica seed (wild rice) and Ceratonia siliqua (carob bean), and of baked potato, and cooked meat (sukiyaki) volatiles.
2-Acetyl-5-methylfuran
Isolated from raisins, roasted onion, French fried potato, tomato, smoked fatty fish, cooked beef, fried cured pork, beer, spirits, black tea, wild rice, squid and coffee aroma. Organoleptic and flavouring agent. 2-Acetyl-5-methylfuran is found in many foods, some of which are tea, potato, alcoholic beverages, and cereals and cereal products. 2-Acetyl-5-methylfuran is found in alcoholic beverages. 2-Acetyl-5-methylfuran is isolated from raisins, roasted onion, French fried potato, tomato, smoked fatty fish, cooked beef, fried cured pork, beer, spirits, black tea, wild rice, squid and coffee aroma. 2-Acetyl-5-methylfuran is organoleptic and flavouring agent.
(E,E)-2,4-Octadienal
Present in roasted beef, bread, cheese, cocoa beans, fresh salted salmon, sturgeon caviar, salmon roe, salmon oil, pickled ham, grapes, cooked mutton, peanuts, rice, roasted sesame seeds and black tea. Flavouring ingredient. (E,E)-2,4-Octadienal is found in many foods, some of which are milk and milk products, cereals and cereal products, nuts, and fruits. (E,E)-2,4-Octadienal is found in animal foods. (E,E)-2,4-Octadienal is present in roasted beef, bread, cheese, cocoa beans, fresh salted salmon, sturgeon caviar, salmon roe, salmon oil, pickled ham, grapes, cooked mutton, peanuts, rice, roasted sesame seeds and black tea. (E,E)-2,4-Octadienal is a flavouring ingredien
trans, trans-3,5-Octadien-2-one
trans, trans-3,5-Octadien-2-one 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 .
3,5,5-Trimethyl-2-cyclopenten-1-one
3,5,5-Trimethyl-2-cyclopenten-1-one is found in herbs and spices. Top note of Osmanthus fragrans (sweet osmanthus). Top note of Osmanthus fragrans (sweet osmanthus). 3,5,5-Trimethyl-2-cyclopenten-1-one is found in herbs and spices.
Phenylmethanethiol
Phenylmethanethiol is a flavouring agent Flavouring agent
2-Acetyl-3-methylfuran
2-Acetyl-3-methylfuran is found in fats and oils. 2-Acetyl-3-methylfuran is present in oils of Perilla frutescens and Elsholtzia ciliata and sesame oi Present in oils of Perilla frutescens and Elsholtzia ciliata and sesame oil. 2-Acetyl-3-methylfuran is found in fats and oils.
6-Methyl-3,5-heptadien-2-one
6-Methyl-3,5-heptadien-2-one is a flavouring ingredient. It is isolated from lavender oil (Lavendula officinalis hybrid Flavouring ingredient. Isolated from lavender oil (Lavendula officinalis hybrid).
Methyl phenyl sulfide
Methyl phenyl sulfide is found in animal foods. Methyl phenyl sulfide is found in coffee. Methyl phenyl sulfide is a flavouring agent for baked and meat products and seaonings. Methyl phenyl sulfide is a food additive listed in the food Additive Database (Jan. 2001 Found in coffee. Flavouring agent for baked and meat products and seaonings. Food additive listed in the Food Additive Database (Jan. 2001)
2-Methylbenzenethiol
2-Methylbenzenethiol is a flavouring ingredien Flavouring ingredient
2,3-Dimethyl-2-cyclohexen-1-one
2,3-Dimethyl-2-cyclohexen-1-one has been used in food flavourin
2-Methoxy-3-methylpyrazine
2-Methoxy-3-methylpyrazine is found in burdock. 2-Methoxy-3-methylpyrazine is reported in sherry and krill. 2-Methoxy-3-methylpyrazine is a flavouring ingredient, especially for coffee. Main component (75\\%) of *FEMA 3183*, a mixture with its regioisomer Reported in sherry and krill. Flavouring ingredient, especies for coffee. Main component (75\\%) of *FEMA 3183*, a mixture with its regioisomers. 2-Methoxy-3-methylpyrazine is found in burdock and fenugreek.
1,5-Octadien-3-one
1,5-Octadien-3-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-(2-Furanyl)-2-propanone
1-(2-Furanyl)-2-propanone, also known as 2-acetonylfuran or 2-furfuryl methyl ketone, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 1-(2-Furanyl)-2-propanone is a radish and spicy tasting compound. 1-(2-Furanyl)-2-propanone has been detected, but not quantified, in several different foods, such as alcoholic beverages, cereals and cereal products, coffee and coffee products, onion-family vegetables, and potato. This could make 1-(2-furanyl)-2-propanone a potential biomarker for the consumption of these foods. Present in roasted onion, cooked potato, wheat bread, fried beef, pork liver, sherry and coffee. Flavouring ingredient. 1-(2-Furanyl)-2-propanone is found in many foods, some of which are alcoholic beverages, animal foods, onion-family vegetables, and potato.
2-Isopropyl-5-methylfuran
2-Isopropyl-5-methylfuran is an important natural flavour. Important natural flavour
4,6-Heptadiyne-1,3-diol
4,6-Heptadiyne-1,3-diol is found in herbs and spices. 4,6-Heptadiyne-1,3-diol is isolated from aerial parts of Artemisia dracunculus (tarragon). Isolated from aerial parts of Artemisia dracunculus (tarragon). 4,6-Heptadiyne-1,3-diol is found in herbs and spices.
(E,E)-2,6-Octadienal
(E,E)-2,6-Octadienal is found in fats and oils. (E,E)-2,6-Octadienal is a flavouring ingredient. (E,E)-2,6-Octadienal is a component of storage odour development in hydrogenated soybean oil. Flavouring ingredient. Component of storage odour development in hydrogenated soybean oil. (E,E)-2,6-Octadienal is found in fats and oils.
2-Methoxy-5-methylpyrazine
Nut-like flavouring ingredient. 2-Methoxy-5-methylpyrazine is a component of FEMA 3183, together with its regioisomers. Nut-like flavouring ingredient. Component of FEMA 3183, together with its regioisomers
2-Methoxy-6-methylpyrazine
2-Methoxy-6-methylpyrazine is found in alcoholic beverages. Nut-like flavouring ingredient. 2-Methoxy-6-methylpyrazine is a component of FEMA 3183, together with its regioisomers. 2-Methoxy-6-methylpyrazine is a constituent of botrytised grape must. Nut-like flavouring ingredient. Component of FEMA 3183, together with its regioisomers. Constituent of botrytised grape must. 2-Methoxy-6-methylpyrazine is found in alcoholic beverages.
Methyl-1-cyclopenten-1-yl)-ethanone
Methyl-1-cyclopenten-1-yl)-ethanone belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
Diaminopropane
Diaminopropane, also known as 2,4-diaminophenol hydrochloride or amidol, is a member of the class of compounds known as aniline and substituted anilines. Aniline and substituted anilines are organic compounds containing an aminobenzene moiety. Diaminopropane is soluble (in water) and a very weakly acidic compound (based on its pKa). Diaminopropane can be found in barley, common wheat, corn, and oat, which makes diaminopropane a potential biomarker for the consumption of these food products. Diaminopropane may refer to either of two isomeric chemical compounds: 1,2-Diaminopropane 1,3-Diaminopropane .
Octa-trans-3-cis-5-dien-2-one
Octa-trans-3-cis-5-dien-2-one, also known as (e,z)-3,5-octadien-2-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Octa-trans-3-cis-5-dien-2-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Octa-trans-3-cis-5-dien-2-one can be found in tea, which makes octa-trans-3-cis-5-dien-2-one a potential biomarker for the consumption of this food product.
3,5-octadien-2-one
3,5-Octadien-2-one belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. An enone, also called an α, β-unsaturated carbonyl, is a type of organic compound consisting of an alkene conjugated to a ketone. 3,5-octadien-2-one exists in multiple cis or trans isomers. The trans-trans or (3E, 5E) form is most biologically relevant. 3,5-octadien-2-one is a clear, yellowy Liquid that is weakly water soluble (1.6 g/L). 3,5-octadien-2-one has a fruity, green, grassy odor. 3,5-octadien-2-one has been detected, but not quantified in, asparagus, oysters and cauliflowers. This could make 3,5-octadien-2-one a potential biomarker for the consumption of these foods. Flavouring compound [Flavornet]
N,N-Dimethylsulfamide
CONFIDENCE standard compound; INTERNAL_ID 2775 CONFIDENCE standard compound; EAWAG_UCHEM_ID 341
Methylhydroquinone
Methylhydroquinone is an active compound. Methylhydroquinone can be used for the research of various biochemical studies[1]. Methylhydroquinone is an active compound. Methylhydroquinone can be used for the research of various biochemical studies[1].
1,3-Dimethyl-cyclohexen-(3)-on-(6)|4,6-Dimethyl-cyclohex-3-enon|4,6-dimethyl-cyclohex-3-enone
4-Methylcatechol
4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
3-methylcatechol
A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. 3-Methylcatechol is a building block in the chemical synthesis produced by Pseudomonas putida MC2[1]. 3-Methylcatechol is a building block in the chemical synthesis produced by Pseudomonas putida MC2[1].
Mequinol
D020011 - Protective Agents > D000975 - Antioxidants C78284 - Agent Affecting Integumentary System D000970 - Antineoplastic Agents D - Dermatologicals Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1] Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1]
2-BUTYLFURAN
A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a butyl group. It is a constituent found in several plant species and some cooked foods.
1-Cyclopentene-1-carboxaldehyde, 4-(thioxomethyl)- (9CI)
1-(1-METHYL-1H-IMIDAZOL-5-YL)ETHANONE-CAS# 20970-50-7
5-Pyrimidinecarboxaldehyde, 1,2-dihydro-2-oxo- (9CI)
Ammonium oxalate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019163 - Reducing Agents
(+)-CIS-1(R),2(S)-1,2-DIHYDROXY-1,2-DIHYDRONAPHTHALENE
3-AMINO-6-HYDROXY-2-METHYLPYRIDINE3-AMINO-6-HYDROXY-2-PICOLINE
1H-Imidazole-4-carboxaldehyde, 1,5-dimethyl- (9CI)
(3AS,6AR)-3,3A,6,6A-TETRAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
Pyrolin
Methylhydroquinone is an active compound. Methylhydroquinone can be used for the research of various biochemical studies[1]. Methylhydroquinone is an active compound. Methylhydroquinone can be used for the research of various biochemical studies[1].
Guajol
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent C78273 - Agent Affecting Respiratory System > C29767 - Expectorant Guaiacol, a phenolic compound, inhibits LPS-stimulated COX-2 expression and NF-κB activation[1]. Anti-inflammatory activity[1]. Guaiacol, a phenolic compound, inhibits LPS-stimulated COX-2 expression and NF-κB activation[1]. Anti-inflammatory activity[1].
HQMME
D020011 - Protective Agents > D000975 - Antioxidants C78284 - Agent Affecting Integumentary System D000970 - Antineoplastic Agents D - Dermatologicals Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1] Mequinol (4-Methoxyphenol) is one of bioactive components in Mercurialis. Mequinol is used for skin depigmentation[1]
623-05-2
4-Hydroxybenzyl alcohol is a phenolic compound widely distributed in various kinds of plants. Anti-inflammatory, anti-oxidant, anti-nociceptive activity. Neuroprotective effect. Inhibitor of tumor angiogenesis and growth[1][2][3][4]. 4-Hydroxybenzyl alcohol is a phenolic compound widely distributed in various kinds of plants. Anti-inflammatory, anti-oxidant, anti-nociceptive activity. Neuroprotective effect. Inhibitor of tumor angiogenesis and growth[1][2][3][4].
c0126
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D002273 - Carcinogens 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase. 4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
Creosote wood
A complex combination of phenols obtained as a distillate from wood tar (SciFinder).
salicyl alcohol
A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent Salicyl alcohol is an intermediate for medicine, perfume, pesticide. Salicyl alcohol is an intermediate for medicine, perfume, pesticide.
Ethyl Mesilate
D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
Pyrazine-2-carboxylic acid
The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.
2-Hydroxy-1,4-benzoquinone
The simplest member of the class of 2-hydroxy-1,4-benzoquinones, that is 1,4-benzoquinone in which a single hydrogen is replaced by a hydroxy group.
Toluquinol
A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.
Benzyl thiol
A thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group.
p-hydroxybenzyl alcohol
A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung.
1-1-acetyl-1-cyclohexene
{"Ingredient_id": "HBIN000335","Ingredient_name": "1-1-acetyl-1-cyclohexene","Alias": "NA","Ingredient_formula": "C8H12O","Ingredient_Smile": "CC(=O)C1=CCCCC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37221","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-octene-yn-4-ol
{"Ingredient_id": "HBIN002890","Ingredient_name": "1-octene-yn-4-ol","Alias": "NA","Ingredient_formula": "C8H12O","Ingredient_Smile": "CC=CC#CCCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1S,4S,7R)-7-bicyclo[2.2.2]oct-2-enol
{"Ingredient_id": "HBIN003296","Ingredient_name": "(1S,4S,7R)-7-bicyclo[2.2.2]oct-2-enol","Alias": "(1S,4S,7R)-bicyclo[2.2.2]oct-2-en-7-ol","Ingredient_formula": "C8H12O","Ingredient_Smile": "NA","Ingredient_weight": "124.18","OB_score": "65.7551844","CAS_id": "19245-72-8","SymMap_id": "SMIT10071","TCMID_id": "NA","TCMSP_id": "MOL008853","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2- acetyl-5- methyl
{"Ingredient_id": "HBIN005126","Ingredient_name": "2- acetyl-5- methyl","Alias": "NA","Ingredient_formula": "C7H8O2","Ingredient_Smile": "CC1=CC=C(O1)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-propylfuran
{"Ingredient_id": "HBIN006003","Ingredient_name": "2-methyl-5-propylfuran","Alias": "2-methyl-5-propyl-furan","Ingredient_formula": "C8H12O","Ingredient_Smile": "CCCC1=CC=C(O1)C","Ingredient_weight": "124.18 g/mol","OB_score": "44.70540154","CAS_id": "NA","SymMap_id": "SMIT13859","TCMID_id": "NA","TCMSP_id": "MOL013169","TCM_ID_id": "NA","PubChem_id": "5191689","DrugBank_id": "NA"}
2-Methylenecycloheptanone
{"Ingredient_id": "HBIN006050","Ingredient_name": "2-Methylenecycloheptanone","Alias": "Cycloheptanone, 2-methylene-; 2-methylenecycloheptan-1-one; 2-methylene-1-cycloheptanone; 2-methylidenecycloheptan-1-one","Ingredient_formula": "C8H12O","Ingredient_Smile": "C=C1CCCCCC1=O","Ingredient_weight": "124.18","OB_score": "59.53056439","CAS_id": "3045-99-6","SymMap_id": "SMIT11160","TCMID_id": "NA","TCMSP_id": "MOL010089","TCM_ID_id": "NA","PubChem_id": "543153","DrugBank_id": "NA"}
3,4,5-trimethyl-2-Cyclopenten-1-one
{"Ingredient_id": "HBIN007307","Ingredient_name": "3,4,5-trimethyl-2-Cyclopenten-1-one","Alias": "NA","Ingredient_formula": "C8H12O","Ingredient_Smile": "CC1C(C(=O)C=C1C)C","Ingredient_weight": "124.18 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40607","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "41520","DrugBank_id": "NA"}
(3E,5 E)-Octadien-2-one
{"Ingredient_id": "HBIN008451","Ingredient_name": "(3E,5 E)-Octadien-2-one","Alias": "NA","Ingredient_formula": "C8H12O","Ingredient_Smile": "CC=CCC=CC(=O)C","Ingredient_weight": "124.18 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42488","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6434070","DrugBank_id": "NA"}
bicyclo[2,2,2]oct-5-en-2-ol
{"Ingredient_id": "HBIN018419","Ingredient_name": "bicyclo[2,2,2]oct-5-en-2-ol","Alias": "NA","Ingredient_formula": "C8H12O","Ingredient_Smile": "C1CC2C=CC1CC2O","Ingredient_weight": "124.18 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14467","TCMID_id": "2356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138810","DrugBank_id": "NA"}
