Exact Mass: 228.11839400000002
Exact Mass Matches: 228.11839400000002
Found 500 metabolites which its exact mass value is equals to given mass value 228.11839400000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bisphenol A
Bisphenol A, commonly abbreviated as BPA, is an organic compound with two phenol functional groups. It is a difunctional building block of several important plastics and plastic additives. With an annual production of 2–3 million metric tonnes, it is an important monomer in the production of polycarbonate. It is a potential food contaminant arising from its use in reusable polycarbonate food containers such as water carboys, baby bottles and kitchen utensils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D004785 - Environmental Pollutants > D000393 - Air Pollutants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; EAWAG_UCHEM_ID 163 Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[1][2][3].
(S)-ATPA
C10H16N2O4 (228.11100159999998)
A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group.
2E-Dodecenedioic acid
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Lindenenone
tebuthiuron
CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8138; ORIGINAL_PRECURSOR_SCAN_NO 8136 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8086; ORIGINAL_PRECURSOR_SCAN_NO 8082 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8083; ORIGINAL_PRECURSOR_SCAN_NO 8081 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8128; ORIGINAL_PRECURSOR_SCAN_NO 8126 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8086; ORIGINAL_PRECURSOR_SCAN_NO 8082 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8040; ORIGINAL_PRECURSOR_SCAN_NO 8038 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8135; ORIGINAL_PRECURSOR_SCAN_NO 8134
nabumetone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors 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
Nabumetone
Nabumetone is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid family (which includes diclofenac). Marketed under the brand name Relafen, it has been shown to have a slightly lower risk of gastrointestinal side effects than most other non-selective NSAIDs. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors 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
Prolylhydroxyproline
C10H16N2O4 (228.11100159999998)
Prolylhydroxyproline is a dipeptide. Prolylhydroxyproline is a marker of bone collagen degradation, showing high sensitivity for the diagnosis of osteoporosis. Prolylhydroxyproline has been suggested as a possible alternative to hydroxyproline determination in bone resorption studies. Prolylhydroxyproline is one of the iminodipeptides present in the urine of patients with prolidase deficiency. Prolidase (X-Pro dipeptidase EC 3.4. 13.9) splits iminodipeptides containing C-terminal proline or hydroxyproline (X-Pro or X-Hyp) to X+Pro or X+Hyp. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis and mental retardation. These patients excrete large amounts of iminodipeptides containing C-terminal proline in the urine due to hereditary prolidase deficiency. (PMID: 12636053, 11863289, 2387877, 1874885, 9586797) [HMDB] Prolylhydroxyproline is a dipeptide. Prolylhydroxyproline is a marker of bone collagen degradation, showing high sensitivity for the diagnosis of osteoporosis. Prolylhydroxyproline has been suggested as a possible alternative to hydroxyproline determination in bone resorption studies. Prolylhydroxyproline is one of the iminodipeptides present in the urine of patients with prolidase deficiency. Prolidase (X-Pro dipeptidase EC 3.4.13.9) splits iminodipeptides containing C-terminal proline or hydroxyproline (X-Pro or X-Hyp) to X+Pro or X+Hyp. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis and mental retardation. These patients excrete large amounts of iminodipeptides containing C-terminal proline in the urine due to hereditary prolidase deficiency (PMID: 12636053, 11863289, 2387877, 1874885, 9586797).
Metyrapol
C14H16N2O (228.12625659999998)
Metyrapol is a metabolite of metyrapone. Metyrapone (trade name Metopirone) is a drug used in the diagnosis of adrenal insufficiency and occasionally in the treatment of Cushings syndrome (hypercortisolism). (Wikipedia)
(S)-Menthone 8-thioacetate
C12H20O2S (228.11839400000002)
(S)-Menthone 8-thioacetate is present in Buchu leaf oil. (S)-Menthone 8-thioacetate is a flavouring ingredient. Present in Buchu leaf oil. Flavouring ingredient
Pyroglutamylvaline
C10H16N2O4 (228.11100159999998)
Pyroglutamylvaline, also known as pyro-Glu-Val or 5-oxoprolylvaline, is classified as a member of the dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Pyroglutamylvaline is considered to be practically insoluble (in water) and acidic.
(S)-Curzeone
(S)-Curzeone is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
Hydroxyprolyl-Proline
C10H16N2O4 (228.11100159999998)
Hydroxyprolyl-Proline is a dipeptide composed of hydroxyproline and proline. 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.
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
Tetraacetylethylenediamine
C10H16N2O4 (228.11100159999998)
Bleach activator used in food-contact paper and paperboard. TAED is an important component of detergents and bleaches. Its is an activator for "active oxygen" bleaching agents. Such active oxygen bleaching agents release hydrogen peroxide during the wash cycle. Such agents include sodium perborate, sodium percarbonate, sodium perphosphate, sodium persulfate, and urea peroxide. The released hydrogen peroxide is an inefficient bleach below 40 °C, except in the presence of activators such as TAED. Tetraacetylethylenediamine, commonly abbreviated TAED, is an organic compound with the formula (CH3C(O))2NCH2CH2N(C(O)CH3)2. This colourless compound is often dyed blue or green for use in laundry detergents, its most significant application. It is produced by acetylation of ethylenediamine. The activation process entails a reaction of the hydrogen peroxide with TAED to release peracetic acid, which is a fast-acting bleaching agent.:. Bleach activator used in food-contact paper and paperboard
bis(Benzyloxy)methane
bis(Benzyloxy)methane belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene).
7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
C14H16N2O (228.12625659999998)
3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole
C12H12N4O (228.10110619999998)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Morph
C10H16N2O4 (228.11100159999998)
L-Prolyl-4-hydroxy-L-prolin
C10H16N2O4 (228.11100159999998)
5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
C14H16N2O (228.12625659999998)
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
C10H16N2O4 (228.11100159999998)
(R)-Menthone 8-thioacetate
C12H20O2S (228.11839400000002)
Flavour ingredient for various formulations (as mixture with the trans-form). Present in Buchu leaf oil
Myrrhone
(8R)-1,5,8-trimethyl-8,9-dihydro-7H-benzo[e][1]benzofuran-6-one is a natural product found in Commiphora myrrha with data available.
(E,E)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate
(E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol
Dehydrolindestrenolide
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate
A p-menthane monoterpenoid that is p-menth-2-ene substituted by a hydroperoxy group at position 1 and an acetyloxy group at position 8 (the 1R,4S stereoisomer). Isolated from the leaves of Laurus nobilis, it exhibits trypanocidal activity.
(E,Z)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate
RU 24969
C14H16N2O (228.12625659999998)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists RU 24969 is a preferential 5-HT1B agonist, with a Ki of 0.38 nM, but also displays appreciable affinity for the 5-HT1A receptor (Ki=2.5 nM), and has low affinity for other receptor sites in the brain. RU 24969 could decrease fluid consumption and increase forward locomotion[1].
(10S,12S)-10-hydroxy-12-methyl-1-oxacyclododecane-2,5-dione
13-Acetoxy-trideca-6t,8c,10t-trien-2,4-diin|13-acetoxy-trideca-6t,8c,10t-triene-2,4-diyne
1,6-dimethyl-1H-cyclohepta[1,2-d;3,4-d]diimidazole-2,8-diamine
1-acetoxy-5-hydroxy-6,7-epoxy-3,7-dimethyl-octa-2e-ene
(-)-(4aR,9aR,10R)-1,4,4a,9a,10-pentahydro-10-hydroxy-2-methyl-anthracen-9-one|rubiasin A
(2R*,5R*,1E,3E,9Z)-form-Tetrahydro-5-(1,3,9-undecatriene-5,7-diynyl)-2-furanol,
4-hydroperoxy-2RS,3RS-isopropyliden-hex-5-en-1-ol acetate
(4R,6S)-4-hydroxy-6-(1-phenyl-2-propenyl)-2-cyclohexene-1-one
6-Methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-on|6-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
10-desmethyl-1-methyl-5,6-dihydroeudesma-1,3,5(10)-triene-12,8beta-olide
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate|2-((1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl)propan-2-yl acetate
trans-10-Acetoxy-2-decensaeure|trans-10-Acetoxy-dec-2-en-1-saeure|trans-10-Acetoxy-dec-2-ensaeure|trans-10-acetoxydec-2-enoic acid
furanoeudesma-1,4-diene-6-one|furanogermacr-1(10)Z,4Z-dien-6-one
2R-Catalponon|Catalponol-diketon|catalponone|Epicatalponon
(+)-(4aS,9aR,10S)-1,4,4a,9a,10-pentahydro-10-hydroxy-3-methyl-anthracen-9-one|rubiasin C
4,N2-dimethyl-1H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Parazoanthoxanthin B
2-hexylidene-3-methyl succinic acid 4-methyl ester
(E)-2-ethylidene-2,3,11,11a-tetrahydro-1Hbenzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine C
C14H16N2O (228.12625659999998)
3,7-Dimethyl-5-isopropyl-1-oxo-1H-indene-6-carbaldehyde
3-(E-3-hydroxy-3-methyl-but-1-enyl)-6-methylcyclohex-2-ene-1,4,6-triol|acremine F
(2S*,5R*)-2,5-epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one|(2S*,5S*)-2,5-Epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one
(6R,12S)-6-hydroxy-12-methyl-1-oxacyclododecane-2,5-dione
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
C14H16N2O (228.12625659999998)
(7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl) acetate
(-)-(3R,7R)-9,10-dihydro-11xi-hydroxyjasmonic acid
12-HYDROXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONE
Dodecenedioate (C12:1-DC)
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. Traumatic acid is a monounsaturated straight-chain dicarboxylic acid with the double bond at C-2; a plant wound-healing hormone. It has a role as a plant hormone. Traumatic acid is a natural product found in Meehania urticifolia with data available. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Dihydropinosylvinmethylether
Phenol, 3-methoxy-5-(2-phenylethyl)- is a natural product found in Pinus flexilis, Pinus balfouriana, and other organisms with data available.
Dibutyl_maleate
Dibutyl maleate, the diester of the Maleic Acid, can be used as an intermediate of pharmaceutical synthesis. Dibutyl maleate can enhance contact sensitization to Fluorescein isothiocyanate in mice[1].
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol
Traumatic Acid
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. [HMDB] Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Pro-Hyp
C10H16N2O4 (228.11100159999998)
A dipeptide composed of L-proline and L-hydroxyproline residues. It is a biomarker for bone collagen degradation.
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based: Match]
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based on: CCMSLIB00000848981]
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based: Match]
Hpro-pro
C10H16N2O4 (228.11100159999998)
pro-HPro
C10H16N2O4 (228.11100159999998)
Descarbamylnovobiocin
C10H16N2O4 (228.11100159999998)
1-(2,2-diethoxyethoxy)-2-fluorobenzene
C12H17FO3 (228.11616640000003)
Propanedioic acid,2-ethyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
1,4-Cyclohexanedicarboxylicacid, 1,4-diethyl ester
3-(3-aminophenyl)-N,N-dimethylpropanamide(SALTDATA: 2HCl)
(4-METHOXY-BENZYL)-PYRIDIN-2-YLMETHYL-AMINE
C14H16N2O (228.12625659999998)
N,N-Diallyltartramide
C10H16N2O4 (228.11100159999998)
Urea, N-(1,1-dimethylethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)- (9CI)
CYCLOHEXANE-1,2-DICARBOXYLICACIDMONO-TERT-BUTYLESTER
3-(DIMETHYLAMINO)-2-(3,4-DIMETHYLBENZOYL)ACRYLONITRILE
C14H16N2O (228.12625659999998)
1-(1-BENZYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)ETHANONE
C14H16N2O (228.12625659999998)
ETHYL 2-(TERT-BUTOXYCARBONYLAMINO)-2-CYANOACETATE
C10H16N2O4 (228.11100159999998)
3-(2-METHYLPROPYL)-5-PHENYL-2(1H)-PYRAZINONE
C14H16N2O (228.12625659999998)
3-Pyridazinecarboxamide, 6-[(phenylmethyl)amino]
C12H12N4O (228.10110619999998)
Tocainide hydrochloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium,nitrate
C10H16N2O4 (228.11100159999998)
1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester
C10H16N2O4 (228.11100159999998)
(4-METHOXY-BENZO[1,3]DIOXOL-6-)-METHYLAMINE
C14H16N2O (228.12625659999998)
(2E,4E,6E,8E,10E,12E)-pentadeca-2,4,6,8,10,12,14-heptaenoic acid
1,4-DIMETHOXYPERHYDROQUINOXALIN-2,3-DIONE
C10H16N2O4 (228.11100159999998)
4-(5-phenyl-3-isoxazolyl)piperidine
C14H16N2O (228.12625659999998)
5-amino-1-(3-ethoxyphenyl)pyrazole-4-carbonitrile
C12H12N4O (228.10110619999998)
4-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-BUT-2-YNOIC ACID METHYL ESTER
C11H20O3Si (228.11816500000003)
4-PIPERIDIN-4-YL-QUINOLINE 1-OXIDE
C14H16N2O (228.12625659999998)
2-(5-CHLOROPENT-1-YN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C11H18BClO2 (228.10883080000002)
1-(2,2-Diethoxyethyl)-1H-pyrazol-4-ylboronic acid
C9H17BN2O4 (228.12813119999998)
3-(5-DIMETHYLAMINO-PHENOXY)-PHENYLAMINE
C14H16N2O (228.12625659999998)
N-(2-Aminoethyl)-2-(1-Naphthyl)Acetamide
C14H16N2O (228.12625659999998)
1-(4-METHOXY-PHENYL)-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE
C14H16N2O (228.12625659999998)
(1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate
6-(4-Ethylphenyl)-2,5-dimethyl-4-pyrimidinol
C14H16N2O (228.12625659999998)
(S)-(-)-2-(Cyclohexylmethyl)succinic acid 1-methyl ester
p-Mentha-8-Thiol-3-One Acetate
C12H20O2S (228.11839400000002)
(3S 5R 8AS)-(+)-HEXAHYDRO-3-PHENYL-5H-O&
C14H16N2O (228.12625659999998)
(R)-2-(CYCLOHEXYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid dimethyl ester
2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethanol
C12H12N4O (228.10110619999998)
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
C14H16N2O (228.12625659999998)
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
C14H16N2O (228.12625659999998)
2-Pyrimidinecarbonitrile,4,6-dimethyl- (6ci,8ci,9ci)
tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate
C11H17FN2O2 (228.12739940000003)
2-Amino-N,N-dimethyl-3-phenylpropanamidehydrochloride
5-(pyrrolidin-1-ylmethyl)quinolin-8-ol
C14H16N2O (228.12625659999998)
Thiourea, N-cyclopropyl-N-(3-ethyl-2-oxo-1-imidazolidinyl)- (9CI)
N-(2,6-dimethylphenyl)-2-(methylamino)acetamide,hydrochloride
1-Isopropyl-3-methyl-piperidin-4-ylamine dihydrochloride
4-Ethynylbenzeneboronic acid pinacol ester
C14H17BO2 (228.13215320000003)
Ethyl 8-Methyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate
4,4,5,5-TETRAMETHYL-2-(PHENYLETHYNYL)-1,3,2-DIOXABOROLANE
C14H17BO2 (228.13215320000003)
5-[4-(1-Methylethoxy)phenyl]-2-pyridinamine
C14H16N2O (228.12625659999998)
4-METHYL-2-PHENYL-5-PYRIMIDINECARBOHYDRAZIDE
C12H12N4O (228.10110619999998)
4-(1,1-dimethylethyl)-1-Naphthalenecarboxylic acid
2-ACETYL-8-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
C14H16N2O (228.12625659999998)
(-)-2-Cyano-6-phenyloxazolopiperidine
C14H16N2O (228.12625659999998)
2-Morpholino-2,3-dihydro-1H-indene-2-carbonitrile
C14H16N2O (228.12625659999998)
2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid
C10H16N2O4 (228.11100159999998)
ATPA is a selective glutamate receptor GluR5 activator with EC50s of 0.66, 9.5, 1.4, 23, 32, 18, and 14 μM for GluR5wt, GluR5(S741M), GluR5(S721T), GluR5(S721T, S741M), GluR5(S741A), GluR5(S741L), and GluR5(S741V), respectively[1].
6-Benzyl-3-isopropyl-2(1H)-pyrazinone
C14H16N2O (228.12625659999998)
3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
C12H12N4O (228.10110619999998)
L-Ornithine, N5-(4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-
1H-Indole-3-acetonitrile, 1-(trimethylsilyl)-
C13H16N2Si (228.10826959999997)
Bisphenol A
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D004785 - Environmental Pollutants > D000393 - Air Pollutants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[1][2][3].
4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
C10H16N2O4 (228.11100159999998)
(5S)-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran-9-ol
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
C10H16N2O4 (228.11100159999998)
(3S,4Z,6E,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoic acid
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
C10H16N2O4 (228.11100159999998)
3-(2,4-dimethyl-6-oxo-3H-pyran-2-yl)-2-hydroxy-2-methylpropanoic acid
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
C12H12N4O (228.10110619999998)
2-[3-(2-Cyanopropan-2-yl)-5-hydroxyphenyl]-2-methylpropanenitrile
C14H16N2O (228.12625659999998)
(1R,3S)-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
2-Formyl-5,7-dimethyl-1,2,3,4-tetrahydropyrimido[3,4-a]indole
C14H16N2O (228.12625659999998)
Pro-Hyp zwitterion
C10H16N2O4 (228.11100159999998)
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Pro-Hyp. Major species at pH 7.3.
phevalin
C14H16N2O (228.12625659999998)
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 muM), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression.
dodecanedioate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of dodecanedioic acid; major species at pH 7.3.
SIRT1-IN-1
C14H16N2O (228.12625659999998)
SIRT1-IN-1 is a selective SIRT1 inhibitor with an IC50 of 0.205 μM. SIRT1-IN-1 inhibits SIRT2 with an IC50 of 11.5 μM[1]. SIRT1-IN-1, a indole, is a cytomegalovirus (CMV) inhibitors and has antiviral activity[2].
(2r)-2-(3-methylbut-2-en-1-yl)-2,3-dihydronaphthalene-1,4-dione
3,4,5-trimethyl-5h,6h,7h-naphtho[2,3-b]furan-8-one
(1r,2s)-2-{[(2r,2'r,3r,3's)-3'-[(1r)-1-hydroxybutyl]-[2,2'-bioxiran]-3-yl]methyl}cyclopropan-1-ol
1,5,8-trimethyl-7h,8h,9h-naphtho[2,1-b]furan-6-one
(2e,8e)-deca-2,8-dien-4,6-diyn-1-yl 3-methylbut-2-enoate
5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(3e,5r,6r,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
8,9-dihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
4-[(2r)-1,3,3-trimethylaziridin-2-yl]quinolin-2-ol
C14H16N2O (228.12625659999998)
4-hydroxy-4-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
(2s)-2-amino-5-[(4-hydroxy-5-methyl-1,5-dihydroimidazol-2-ylidene)amino]pentanoic acid
3-hydroxy-3-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)propanoic acid
(5z,7s,8r,10r)-7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
(2r)-2-amino-4-{[(2s)-3-methyl-2,5-dihydrofuran-2-yl]-c-hydroxycarbonimidoyl}butanoic acid
C10H16N2O4 (228.11100159999998)
5-[(2r)-2-(4-methylphenyl)propyl]furan-3-carbaldehyde
1(10),5,7(11),8-guaiatetraen-12,8-olide
{"Ingredient_id": "HBIN000221","Ingredient_name": "1(10),5,7(11),8-guaiatetraen-12,8-olide","Alias": "NA","Ingredient_formula": "C15H16O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "123914-43-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9725","PubChem_id": "NA","DrugBank_id": "NA"}
2-amino-4-[(3-methyl-2,5-dihydrofuran-2-yl)-c-hydroxycarbonimidoyl]butanoic acid
C10H16N2O4 (228.11100159999998)
4-[(6r)-1,6-dihydroxyheptyl]-3-methyl-5h-furan-2-one
(5s)-5-hydroxy-5-(6-hydroxy-6-methylheptyl)furan-2-one
3-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)prop-2-enoic acid
(7e,9s)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
1-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-yl}propan-2-one
C14H16N2O (228.12625659999998)
(2e,8z)-deca-2,8-dien-4,6-diyn-1-yl 3-methylbut-2-enoate
2-(2-methylbut-3-en-2-yl)-1h-indole-3-carboximidic acid
C14H16N2O (228.12625659999998)
6-methyl-3,9-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
[3-(1-hydroperoxy-2-methylprop-2-en-1-yl)-2,2-dimethylcyclopropyl]methyl acetate
7-(2-hydroxypropan-2-yl)-4-methylazulene-1-carbaldehyde
(8s)-1,5,8-trimethyl-7h,8h,9h-naphtho[2,1-b]furan-6-one
3-hydroxy-8-isopropyl-5-methylnaphthalene-2-carbaldehyde
(7e,9s)-9-hydroxy-9-[(2r,3s)-3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
2-[(1s,4r)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate
(1s,9r,10r,12s)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3,7-dien-5-one
2,8-dimethyl-7-(2-methylprop-1-en-1-yl)chromen-4-one
(4as,9ar,10s)-10-hydroxy-2-methyl-4,4a,9a,10-tetrahydro-1h-anthracen-9-one
2,2-dimethyl-4-(3-methylbut-3-en-1-yn-1-yl)-3h-1-benzofuran-7-ol
(6e,8s,9s,10r)-8,9-dihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
6-benzyl-3-isopropyl-1h-pyrazin-2-one
C14H16N2O (228.12625659999998)
6,9-dimethyl-3-methylidene-3ah,4h,5h,9bh-azuleno[4,5-b]furan-2-one
(2r,3s,4e)-3-(methoxycarbonyl)-2-methylnon-4-enoic acid
(3z,5s,6s,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(4e,6s,7s)-6-hydroxy-3,7-dimethyl-8-oxodec-4-enoic acid
(4as,8as)-3,8a-dimethyl-5-methylidene-4h,4ah,6h-naphtho[2,3-b]furan-2-one
(2s)-2-amino-4-{[(2s)-3-methyl-2,5-dihydrofuran-2-yl]-c-hydroxycarbonimidoyl}butanoic acid
C10H16N2O4 (228.11100159999998)
2-(3,8-dimethyl-5,6-dihydroazulen-5-yl)prop-2-enoic acid
5,8-dimethyl-3-methylidene-3ah,4h,9h,9ah-naphtho[2,3-b]furan-2-one
2-(3-methylbut-2-en-1-yl)-2,3-dihydronaphthalene-1,4-dione
(2e)-2-[(2r)-1-methoxy-1-oxopropan-2-yl]oct-2-enoic acid
n-{12-imino-2-methyl-4,6,11,13-tetraazatricyclo[8.3.0.0³,⁷]trideca-1,3(7),8,10-tetraen-5-ylidene}methanamine
(4ar,9ar,10r)-10-hydroxy-2-methyl-4,4a,9a,10-tetrahydro-1h-anthracen-9-one
(3as,9as,9bs)-6-methyl-3,9-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
10-hydroxy-3-methyl-4,4a,9a,10-tetrahydro-1h-anthracen-9-one
(5s)-5-[(1s,7s)-1,7-dihydroxyoctyl]-5h-furan-2-one
1-[(9r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-yl]propan-2-one
C14H16N2O (228.12625659999998)
(2-{[(2-aminophenyl)methyl]amino}phenyl)methanol
C14H16N2O (228.12625659999998)
(3e,5e,7e)-trideca-3,5,7-trien-9,11-diyn-1-yl acetate
(2e)-3-[(1r,4r,6s)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]prop-2-enoic acid
(3s)-3-hydroxy-3-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]propanoic acid
(3z,5r,6r,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(1s,2s)-2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undeca-5,7-diene-4,9-dione
7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undeca-5,7-diene-4,9-dione
9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
(2e,8e)-deca-2,8-dien-4,6-diyn-1-yl (2e)-2-methylbut-2-enoate
(3r,5e)-7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl acetate
(8as)-3,8a-dimethyl-5-methylidene-4h,4ah,6h-naphtho[2,3-b]furan-2-one
4-hydroxy-6-(1-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
(1r,2s,3s)-2,3-dihydroxy-2-isopropyl-3-methyl-5-methylidene-4-oxocyclopentane-1-carboxylic acid
(4s,8r,12r)-4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
2-[(5r)-3,8-dimethyl-5,6-dihydroazulen-5-yl]prop-2-enoic acid
(4r,12r)-4-hydroxy-12-methyl-1-oxacyclododecane-2,8-dione
(4s,8s,12r)-4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
(3ar,9ar)-5,8-dimethyl-3-methylidene-3ah,4h,9h,9ah-naphtho[2,3-b]furan-2-one
10-hydroxy-2-methyl-4,4a,9a,10-tetrahydro-1h-anthracen-9-one
(1s,2r,4s)-5-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-2-methylcyclohex-5-ene-1,2,4-triol
(3as,9bs)-6,9-dimethyl-3-methylidene-3ah,4h,5h,9bh-azuleno[4,5-b]furan-2-one
(4as,9ar,10s)-10-hydroxy-3-methyl-4,4a,9a,10-tetrahydro-1h-anthracen-9-one
(1s,9s,10r,12s)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3,7-dien-5-one
4-hydroxy-6-(4-hydroxybut-2-en-2-yl)-3,3,5-trimethyloxan-2-one
(4r,5s,6s)-4-hydroxy-6-(4-hydroxybut-2-en-2-yl)-3,3,5-trimethyloxan-2-one
1-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)propane-1,3-diol
(5e,7s)-5-ethylidene-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one
C14H16N2O (228.12625659999998)
(5s)-3,4,5-trimethyl-5h,6h,7h-naphtho[2,3-b]furan-8-one
(1r,4s)-6-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
(3e,5s,6s,12s)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(1r,2r)-1-(3,4-dimethoxyphenyl)propane-1,2,3-triol
(2s)-2-[4-hydroxy-2-(hydroxymethyl)but-1-en-1-yl]-5-methylhex-4-enoic acid
(8r)-1,5,8-trimethyl-7h,8h,9h-naphtho[2,1-b]furan-6-one
5-ethylidene-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one
C14H16N2O (228.12625659999998)
(5e)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
n-{12-imino-2-methyl-4,6,11,13-tetraazatricyclo[8.3.0.0³,⁷]trideca-1,3,7,9-tetraen-5-ylidene}methanamine
[(1r,3s)-3-[(1r)-1-hydroperoxy-2-methylprop-2-en-1-yl]-2,2-dimethylcyclopropyl]methyl acetate
methyl (1r,4as,6s,7r,7as)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(8as)-3,5,8a-trimethyl-6h,9h-naphtho[2,3-b]furan-4-one
methyl (1s,4as,5r,7s,7ar)-1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(8s)-1,5,8-trimethyl-6h,7h,8h-naphtho[2,1-b]furan-9-one
3-[(2s,5s)-3,6-dihydroxy-5-isopropyl-2,5-dihydropyrazin-2-yl]propanoic acid
C10H16N2O4 (228.11100159999998)