Exact Mass: 212.07970319999998
Exact Mass Matches: 212.07970319999998
Found 500 metabolites which its exact mass value is equals to given mass value 212.07970319999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pinosylvin
Pinosylvin is a stilbenol. Pinosylvin is a natural product found in Alnus pendula, Calligonum leucocladum, and other organisms with data available. Pinosylvin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=22139-77-1 (retrieved 2024-07-12) (CAS RN: 22139-77-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Pinosylvin is a?pre-infectious stilbenoid toxin?isolated from the heartwood of Pinus species, has anti-bacterial activities[1]. Pinosylvin is a resveratrol analogue, can induce cell apoptosis and autophapy in leukemia cells[2]. Pinosylvin is a?pre-infectious stilbenoid toxin?isolated from the heartwood of Pinus species, has anti-bacterial activities[1]. Pinosylvin is a resveratrol analogue, can induce cell apoptosis and autophapy in leukemia cells[2].
Harmine
C13H12N2O (212.09495819999998)
Harmine is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. It has a role as a metabolite, an anti-HIV agent and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It derives from a hydride of a harman. Harmine is a natural product found in Thalictrum foetidum, Acraea andromacha, and other organisms with data available. Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920s. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens Harmine is found in fruits. Harmine is an alkaloid from Passiflora edulis (passionfruit A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) [Raw Data] CB043_Harmine_pos_40eV_CB000020.txt [Raw Data] CB043_Harmine_pos_50eV_CB000020.txt [Raw Data] CB043_Harmine_pos_10eV_CB000020.txt [Raw Data] CB043_Harmine_pos_30eV_CB000020.txt [Raw Data] CB043_Harmine_pos_20eV_CB000020.txt CONFIDENCE standard compound; INTERNAL_ID 2884 [Raw Data] CB043_Harmine_neg_50eV_000013.txt [Raw Data] CB043_Harmine_neg_30eV_000013.txt [Raw Data] CB043_Harmine_neg_10eV_000013.txt [Raw Data] CB043_Harmine_neg_20eV_000013.txt [Raw Data] CB043_Harmine_neg_40eV_000013.txt Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Propyl gallate
Propyl gallate is found in corn. Propyl gallate is an antioxidant used in foods especially animal fats and vegetable oils. Synergistic with other antioxidants such as Butylated hydroxyanisole
Benzoin
(±)-Benzoin is a flavouring ingredient.Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Flavouring ingredient Benzoin is a kind of alsamic resin isolated from the styracaceae family. Benzoin can be used as a colour additive used for marking plants[1].
Benzyl benzoate
Benzyl benzoate, also known as benylate or benylic acid, belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzyl benzoate is an extremely weak basic (essentially neutral) compound (based on its pKa). Benzyl benzoate is a faint, sweet, and almond tasting compound. Outside of the human body, benzyl benzoate is found, on average, in the highest concentration within Ceylon cinnamon. Benzyl benzoate has also been detected, but not quantified in, several different foods, such as fennels, garden tomato, annual wild rice, amaranths, and horseradish tree. This could make benzyl benzoate a potential biomarker for the consumption of these foods. Benzyl benzoate is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite Sarcoptes scabiei. It is characterized by severe itching (particularly at night), red spots, and may lead to a secondary infection. Benzyl benzoate is lethal to this mite and is therefore useful in the treatment of scabies. It is also used to treat lice infestations of the head and body. Benzyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. It has a role as a scabicide, an acaricide and a plant metabolite. It is a benzyl ester and a benzoate ester. It is functionally related to a benzoic acid. Benzyl benzoate is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite sarcoptes scabiei. It is characterised by severe itching (particularly at night), red spots, and may lead to a secondary infection. Benzyl benzoate is lethal to this mite and so is useful in the treatment of scabies. It is also used to treat lice infestation of the head and body. Benzyl benzoate is not the treatment of choice for scabies due to its irritant properties. Benzyl benzoate is a natural product found in Lonicera japonica, Populus tremula, and other organisms with data available. See also: ... View More ... P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. Contained in Peru balsam and Tolu balsam. Isolated from other plants e.g. Jasminum subspecies, ylang-ylang oil. It is used in food flavouring C254 - Anti-Infective Agent > C276 - Antiparasitic Agent D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Same as: D01138 Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3]. Benzyl benzoate (Phenylmethyl benzoate) is an orally active anti-scabies agent, acaricide (EC50= 0.06 g/m2) and fungicide. Benzyl benzoate is an angiotensin II (Ang II) inhibitor with antihypertensive effects. Benzyl benzoate can be used in perfumes, pharmaceuticals and the food industry[1][2][3][4][5]. Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3].
D-Glycero-D-galacto-heptitol
D-Glycero-D-manno-heptitol is found in avocado. D-Glycero-D-manno-heptitol occurs in the edible chichitake mushroom (Lactarius volemus). D-Glycero-D-manno-heptitol is widely distributed in plants. Occurs in the edible chichitake mushroom (Lactarius volemus). Widely distributed in plants. D-Glycero-D-manno-heptitol is found in mushrooms and avocado.
Danielone
Phytoalexin isolated from the fruits of papaya (Carica papaya). Danielone is found in papaya and fruits. Danielone is found in fruits. Phytoalexin isolated from the fruits of papaya (Carica papaya
Chlortoluron
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 273 CONFIDENCE standard compound; INTERNAL_ID 2314 CONFIDENCE standard compound; INTERNAL_ID 8382 CONFIDENCE standard compound; INTERNAL_ID 4007
DL-Benzoin
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent Benzoin is a kind of alsamic resin isolated from the styracaceae family. Benzoin can be used as a colour additive used for marking plants[1].
Eudesmic acid
3,4,5-trimethoxybenzoic acid is a benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. It has a role as a plant metabolite, a human xenobiotic metabolite and a human urinary metabolite. It is a member of benzoic acids and a member of methoxybenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 3,4,5-trimethoxybenzoate. 3,4,5-Trimethoxybenzoic acid is a natural product found in Verbesina myriocephala, Engelhardia roxburghiana, and other organisms with data available. Eudesmic acid is found in olive. Eudesmic acid is isolated from eucalyptus oil etc. A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. Isolated from eucalyptus oil etc. Eudesmic acid is found in olive. 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis.
Vanillactic acid
Vanillactic acid, also known as vanillactate or VLA, 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. Vanillactic acid is a potentially toxic compound. Vanillactic acid has been linked to the inborn metabolic disorders including aromatic l-amino acid decarboxylase deficiency. Vanillactic acid is an acidic catecholamine metabolite present in normal human urine (PMID 7524950), in normal human CSF (PMID 7914240), and increased in the CSF of newborns with neonatal epileptic encephalopathy mimicking aromatic L-amino acid decarboxylase deficiency (PMID 12200739). Vanillactic acid is an acidic catecholamine metabolite present in normal human urine (PMID 7524950), in normal human CSF (PMID 7914240), and increased in the CSF of newborns with neonatal epileptic encephalopathy mimicking aromatic L-amino acid decarboxylase deficiency (PMID 12200739) [HMDB]
3,4-Dihydroxyphenyllactic acid methyl ester
3,4-Dihydroxyphenyllactic acid methyl ester is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is found in alcoholic beverages. 2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is a constituent of Riesling wine. Constituent of Riesling wine. 2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone is found in alcoholic beverages.
Carbanilide
C13H12N2O (212.09495819999998)
Carbanilide is found in fruits. Carbanilide is isolated from coconut mil
Histidylglycine
Histidylglycine is a dipeptide composed of histidine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glycyl-Histidine
Glycyl-Histidine is a dipeptide composed of glycine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valtrate
Constituent of Valeriana subspecies Valtrate is found in tea, fats and oils, and herbs and spices. Valtrate is found in fats and oils. Valtrate is a constituent of Valeriana species
S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate
S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate is a flavouring agent. Flavouring agent
3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid
3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3-Hydroxy-4-methoxyphenyllactic acid
3-Hydroxy-4-methoxyphenyllactic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
beta-(2-Methoxyphenoxy)-lactic acid
beta-(2-Methoxyphenoxy)-lactic acid is a metabolite of guaifenesin. Guaifenesin INN or guaiphenesin, also glyceryl guaiacolate, is an expectorant drug sold over the counter and usually taken orally to assist the bringing up of phlegm from the airways in acute respiratory tract infections. (Wikipedia)
2-([1,1'-Biphenyl]-2-yl)acetic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2',3'-Dideoxyuridine
C9H12N2O4 (212.07970319999998)
3-Biphenylacetic acid
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Felbinac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
C9H12N2O4 (212.07970319999998)
Diphenylacetic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methyl syringate
Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].
1H-Imidazole-1-ethanol, alpha-(1-aziridinylmethyl)-2-nitro-
D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Salicyaldehyde
C13H12N2O (212.09495819999998)
Salicyaldehyde, also known as salicylaldehyde phenylhydrazone, is a member of the class of compounds known as phenylhydrazines. Phenylhydrazines are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. Salicyaldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Salicyaldehyde can be found in chinese cinnamon, which makes salicyaldehyde a potential biomarker for the consumption of this food product.
Propyl gallate
Propyl gallate appears as fine white to creamy-white crystalline powder. Odorless or with a faint odor. Melting point 150 °C. Insoluble in water. Slightly bitter taste.
N-propyl gallate is a trihydroxybenzoic acid.
Propyl Gallate is under investigation in clinical trial NCT01450098 (A Study of LY2484595 in Healthy Subjects).
Propyl gallate is a natural product found in Alchornea glandulosa, Mangifera indica, and Zea mays with data available.
Propyl gallate is found in corn. Propyl gallate is an antioxidant used in foods especially animal fats and vegetable oils. Synergistic with other antioxidants such as Butylated hydroxyanisole
Propyl gallate
Propyl gallate appears as fine white to creamy-white crystalline powder. Odorless or with a faint odor. Melting point 150 °C. Insoluble in water. Slightly bitter taste.
N-propyl gallate is a trihydroxybenzoic acid.
Propyl Gallate is under investigation in clinical trial NCT01450098 (A Study of LY2484595 in Healthy Subjects).
Propyl gallate is a natural product found in Alchornea glandulosa, Mangifera indica, and Zea mays with data available.
Propyl gallate is found in corn. Propyl gallate is an antioxidant used in foods especially animal fats and vegetable oils. Synergistic with other antioxidants such as Butylated hydroxyanisole
Methyl syringate
Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].
Benzenepropanoic acid, alpha,3,4-trihydroxy-alpha-methyl-
2-Benzylbenzoic acid
2-Benzylbenzoic acid can be used for compound synthesis[1].
DIPHENYLACETIC ACID
A monocarboxylic acid that is acetic acid where the methyl hydrogens have been replaced by two phenyl groups respectively. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
9-acetamido-3,4-dihydropyrido-(3,4-b)-indole|9-Acetyl-3,4-dihydro-beta-carboline
C13H12N2O (212.09495819999998)
Harmine
C13H12N2O (212.09495819999998)
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.622 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.620 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.613 Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
<6-3H>1-Phenyl-1-acetoxy-hexadiin-(2,4)|Capilloacetat|[6-3H]1-Phenyl-1-acetoxy-hexadiin-(2,4)
4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid
4-Methoxy-1-methyl-9h-pyrido[3,4-b]indole
C13H12N2O (212.09495819999998)
2,3-Dimethoxy-4-hydroxy-benzoesaeuremethylester|methyl 2,3-dimethoxy-4-hydroxybenzoate
(4S,5R,6S)-5,6-dihydroxy-5,6-dihydro-4H-cyclopenta[c]furan-4-acetic acid methyl ester|piscrocin C
2,4,5-Trimethoxybenzoic acid
2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1]. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1].
methyl (4aR,7S,7aS)-octahydro-3,5-dioxocyclopenta[c]pyran-7-carboxylate|torrilliolide
surugapyrrole A
C9H12N2O4 (212.07970319999998)
A pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-4-methyl-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity.
1H,6H-Pyrano[3,4-c]pyran-1,6-dione, 5-ethyl-3,4,5,8-tetrahydro-5-hydroxy-, (.+/-.)-
2-hydroxy-3-(4-hydroxy-2-methyl-phenoxy)-propionic acid|2-Hydroxy-3-(4-hydroxy-2-methyl-phenoxy)-propionsaeure
6-methoxy-4-methyl-1,3-dihydroisobenzofuran-1,5,7-triol
1-Methoxymethyl-β-carboline
C13H12N2O (212.09495819999998)
1-(methoxymethyl)-9H-pyrido[3,4-b]indole is a natural product found in Eurycoma longifolia with data available.
LCIFXEQPXQVBGL-UHFFFAOYSA-N
Methyl 3-hydroxy-4,5-dimethoxybenzoate is a gallic acid derivant isolated from myricaria Laxiflora. Methyl 3-hydroxy-4,5-dimethoxybenzoate shows obvious antimicrobial activities. Methyl 3-hydroxy-4,5-dimethoxybenzoate shows fairly active for oxidation resistance in the presence of H2O2[1].
AI3-36426
Methyl syringate is a benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. It has a role as a plant metabolite. It is a benzoate ester, a dimethoxybenzene and a member of phenols. It is functionally related to a syringic acid. Methyl 4-hydroxy-3,5-dimethoxybenzoate is a natural product found in Buxus natalensis, Cestrum parqui, and other organisms with data available. A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3]. Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].
asaronic acid
2,4,5-Trimethoxybenzoic acid is a methoxybenzoic acid. 2,4,5-Trimethoxybenzoic acid is a natural product found in Alpinia flabellata with data available. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1]. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1].
2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-propan-1-one
7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
C13H12N2O (212.09495819999998)
3-(4-methoxy-6-oxopyran-2-yl)butanoic acid
2,3-Dideoxyuridine
C9H12N2O4 (212.07970319999998)
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
Benzyl Benzoate
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides C254 - Anti-Infective Agent > C276 - Antiparasitic Agent D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3]. Benzyl benzoate (Phenylmethyl benzoate) is an orally active anti-scabies agent, acaricide (EC50= 0.06 g/m2) and fungicide. Benzyl benzoate is an angiotensin II (Ang II) inhibitor with antihypertensive effects. Benzyl benzoate can be used in perfumes, pharmaceuticals and the food industry[1][2][3][4][5]. Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3].
Volemitol
A heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 5 and 6.
Propyl gallate
CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3582; ORIGINAL_PRECURSOR_SCAN_NO 3580 D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3578; ORIGINAL_PRECURSOR_SCAN_NO 3575 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3586; ORIGINAL_PRECURSOR_SCAN_NO 3583 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3565; ORIGINAL_PRECURSOR_SCAN_NO 3561 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3643; ORIGINAL_PRECURSOR_SCAN_NO 3639 CONFIDENCE standard compound; INTERNAL_ID 323; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3577; ORIGINAL_PRECURSOR_SCAN_NO 3574 Propyl gallate is a common food antioxidant. Propyl gallate can inhibit the production of acrolein, glyoxal and methylglyoxal[1][2]. Propyl gallate is a common food antioxidant. Propyl gallate can inhibit the production of acrolein, glyoxal and methylglyoxal[1][2].
4-Hydroxy-3,5-dimethoxybenzoic acid
C9H12N2O4 (212.07970319999998)
eudesmic acid
3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis. 3,4,5-Trimethoxybenzoic acid (Eudesmic acid;Trimethylgallic Acid) is a benzoic acid derivative. A building block in medicine and organic synthesis.
Levoamine (Chloramphenicol D base)
C9H12N2O4 (212.07970319999998)
Gly-his
A dipeptide composed of glycine and L-histidine joined by a peptide linkage.
His-Gly
A dipeptide formed from L-histidine and glycine residues.
2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
C13H12N2O (212.09495819999998)
3-PHENYL-6,7-DIHYDRO-1H-INDAZOL-4(5H)-ONE
C13H12N2O (212.09495819999998)
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoic acid
4-HYDROXYBIPHENYL-4-CARBOXIMIDAMIDE
C13H12N2O (212.09495819999998)
6,9-DIAZA-SPIRO[4.5]DECANEDIHYDROCHLORIDE
C8H18Cl2N2 (212.08469680000002)
OCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE DIHYDROCHLORIDE
C8H18Cl2N2 (212.08469680000002)
METHYL 5,6-DIHYDROXY-2-ISOPROPYLPYRIMIDINE-4-CARBOXYLATE
C9H12N2O4 (212.07970319999998)
3-(morpholin-4-ylcarbonyl)thiophen-2-amine(SALTDATA: FREE)
BIPHENYL-3-CARBOXYLIC ACID HYDRAZIDE
C13H12N2O (212.09495819999998)
4-((3-Hydroxypropyl)amino)-3-nitrophenol
C9H12N2O4 (212.07970319999998)
4-(2-FURYL)-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE
C13H12N2O (212.09495819999998)
Benzamide,N-(3-methyl-2-pyridinyl)-
C13H12N2O (212.09495819999998)
1-(p-nitrophenyl)-2-amino-1,3-propanediol
C9H12N2O4 (212.07970319999998)
4-oxo-8-propan-2-yl-1H-quinoline-3-carbonitrile
C13H12N2O (212.09495819999998)
1-Cyclopropylmethylpiperazine dihydrochloride
C8H18Cl2N2 (212.08469680000002)
Methyl Ester L-Lysine Diisocyanate
C9H12N2O4 (212.07970319999998)
[3-(mercaptomethyl)-2,4,6-trimethylphenyl]methanethiol
4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
(2,4-DICHLORO-PHENYL)-ACETYLCHLORIDE
C9H12N2O4 (212.07970319999998)
N-[(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]-N-METHYLAMINE
Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylate
Ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-3-carboxylate
5,8-DIFLUORO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
C11H10F2O2 (212.06488240000002)
1-(Tert-Butoxycarbonyl)-1H-pyrazol-3-yl-Boronic acid
6-(benzimidazol-2-ylidene)-1,2-dihydropyridazin-3-one
2-(trifluoromethyl)-8,9-dihydro-7H-benzo[7]annulene
Phenol,4-methyl-2-(2-phenyldiazenyl)-
C13H12N2O (212.09495819999998)
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
C8H18Cl2N2 (212.08469680000002)
Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
C9H12N2O4 (212.07970319999998)
Thieno[3,2-c]pyridine-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-5-methyl- (9CI)
Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
(1alpha,5alpha,6alpha)-2-Oxabicyclo[3.1.0]hex-3-ene-3,6-dicarboxylic acid 3-ethyl 6-methyl ester
N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine
C13H12N2O (212.09495819999998)
Benzoic acid,3,4,5-trihydroxy-, 1-methylethyl ester
4-Hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid
C8H11F3O3 (212.06602519999998)
1-METHYL-4-NITRO-3-PROPYL-(1H)-PYRAZOLE-5-CARBOXAMIDE
(2-aminophenyl)(phenyl)methanone oxime
C13H12N2O (212.09495819999998)
3-(2-Aminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride (1:1)
4-ACETYL-3,5-DIOXO-1-METHYLCYCLOHEXANECARBOXYLIC ACID
3,5-Pyrazoledicarboxylic acid diethyl ester
C9H12N2O4 (212.07970319999998)
2-(5-methoxy-2-nitroanilino)ethanol
C9H12N2O4 (212.07970319999998)
Benzenepropanoic acid, 2-fluoro-4-Methoxy-, Methyl ester
2-[3-(methylamino)-4-nitrophenoxy]ethanol
C9H12N2O4 (212.07970319999998)
5-(DIHYDROFURAN-2(3H)-YLIDENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
Salicylaldehyde phenylhydrazone
C13H12N2O (212.09495819999998)
(1-(TERT-BUTOXYCARBONYL)-1H-PYRAZOL-4-YL)BORONIC ACID
8-Isopropyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C13H12N2O (212.09495819999998)
4-PHENYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1(2H)-ONE
C13H12N2O (212.09495819999998)
2-Propenamide, 2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)
Pyridine,3,5-diethoxy-2-nitro-(9CI)
C9H12N2O4 (212.07970319999998)
3-Ammonio-8-methyl-8-azoniabicyclo[3.2.1]octane dichloride
C8H18Cl2N2 (212.08469680000002)
Diethyl 1H-imidazole-4,5-dicarboxylate
C9H12N2O4 (212.07970319999998)
1-Cyclobutyl-piperazine dihydrochloride
C8H18Cl2N2 (212.08469680000002)
DIMETHYL 1-AMINO-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
C9H12N2O4 (212.07970319999998)
Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
C9H12N2O4 (212.07970319999998)
2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (Hydrochloride) (1:1)
4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-phenyl-
Benzoic acid,4-hydroxy-3,5-dimethoxy-, hydrazide
C9H12N2O4 (212.07970319999998)
4-Biphenylcarboxylic acid hydrazide
C13H12N2O (212.09495819999998)
3,3,3-TRIFLUORO-(2-TETRAHYDROFURANYLMETHYL)PROPIONIC ACID
C8H11F3O3 (212.06602519999998)
1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one
C8H11F3O3 (212.06602519999998)
2-(chloromethyl)oxirane: N,N-dimethylpropane-1,3-diamine
N-(4-METHYL-PYRIDIN-3-YL)-BENZAMIDE
C13H12N2O (212.09495819999998)
2-Methyl-2,7-diazaspiro[4.4]nonane dihydrochloride
C8H18Cl2N2 (212.08469680000002)
2-NITRO-N-HYDROXYETHYL-p-ANISIDINE
C9H12N2O4 (212.07970319999998)
2-(2,4-DIFLUOROPHENYL)ALLYL ACETATE
C11H10F2O2 (212.06488240000002)
Methyl 7,7,7-trifluoro-6-oxoheptanoate
C8H11F3O3 (212.06602519999998)
ETHYL 3-(2,4-DIFLUOROPHENYL)ACRYLATE
C11H10F2O2 (212.06488240000002)
2,3-dihydro-1h-cyclopenta[a]naphthalene-2-carboxylic acid
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanol
C13H12N2O (212.09495819999998)
ETHYL 2-ETHYL-4,4,4-TRIFLUORO-3-OXOBUTYRATE
C8H11F3O3 (212.06602519999998)
1-(ethoxy-(ethylsulfanylmethyl)phosphoryl)oxyethane
3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETICACID
3-(4,6-dimethoxypyrimidin-2-yl)propanoicacid
C9H12N2O4 (212.07970319999998)
2-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE
C13H12N2O (212.09495819999998)
5-[(1-Indolyl)Methyl]-3-Methylisoxazole
C13H12N2O (212.09495819999998)
3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid
Cordysinin D
C13H12N2O (212.09495819999998)
A member of the class of beta-carbolines that is beta-carboline substituted by a 1-hydroxyethyl group at position 1 (the S enantiomer). It has been isolated from the mycelia of Cordyceps sinensis.
2-((4-Methoxy-3-nitrophenyl)amino)ethanol
C9H12N2O4 (212.07970319999998)
Cordysinin C
C13H12N2O (212.09495819999998)
A member of the class of beta-carbolines that is beta-carboline substituted by a 1-hydroxyethyl group at position 1 (the R enantiomer). It has been isolated from the mycelia of Cordyceps sinensis.
3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
5-(3,3-Dihydroxypropeny)-3-methoxy-benzene-1,2-diol
Felbinac
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Scabide
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides C254 - Anti-Infective Agent > C276 - Antiparasitic Agent D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3]. Benzyl benzoate (Phenylmethyl benzoate) is an orally active anti-scabies agent, acaricide (EC50= 0.06 g/m2) and fungicide. Benzyl benzoate is an angiotensin II (Ang II) inhibitor with antihypertensive effects. Benzyl benzoate can be used in perfumes, pharmaceuticals and the food industry[1][2][3][4][5]. Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[1][2][3].
AI3-38428
2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1]. 2,4,5-Trimethoxybenzoic acid is a compound identified in purple perilla extracts. 2,4,5-Trimethoxybenzoic acid inhibits M1 macrophage phenotype-mediated inflammation in diabetes[1].
Yageine
C13H12N2O (212.09495819999998)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
(2S,3S,4S)-3-(carboxylatomethyl)-4-prop-1-en-2-ylpyrrolidin-1-ium-2-carboxylate
2,4-Dihydroxy-3,5-dimethyl-6-(hydroxymethyl)benzoic acid
(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
C9H12N2O4 (212.07970319999998)
2-Hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone
Gly-His zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of glycyl-L-histidine; major species at pH 7.3.
N-(2-Hydroxyethyl)-N,N-Dimethyl-3-Sulfopropan-1-Aminium
(1H-Benzoimidazol-2-ylmethylene)-[1,2,4]triazol-4-yl-amine
N-benzoyl-1-methylpyridin-4(1H)-imine
C13H12N2O (212.09495819999998)
2-Fluoro-3,7-bis(methoxymethyl)cyclohepta-2,4,6-trien-1-one
1,3-Diphenylurea
C13H12N2O (212.09495819999998)
A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera).
2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
Danielone
An aromatic ketone that is 2-hydroxy-1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It is a phytoalexin isolated from the papaya fruit and exhibits antifungal activity.
2',3'-Dideoxyuridine
C9H12N2O4 (212.07970319999998)
2',3'-Dideoxyuridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
SIRT-IN-3
C13H12N2O (212.09495819999998)
SIRT-IN-3 is a potent SIRT inhibitor, with an IC50 of 17 μM for SIRT1. SIRT-IN-3 shows about 4-fold and 14-fold selectivity for SIRT1 over SIRT2 and SIRT3, respectively (IC50 of 74 μM and 235 μM for SIRT2 and SIRT3, respectively)[1].