Exact Mass: 228.10110619999998
Exact Mass Matches: 228.10110619999998
Found 500 metabolites which its exact mass value is equals to given mass value 228.10110619999998,
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].
Chrysene
Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1]. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1].
(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.
Lindenenone
(1R,10aS)-1,4,10,10a-Tetrahydrophenazine-1-carboxylate
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
Glyphosate-isopropylammonium
C6H17N2O5P (228.08750419999998)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
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
Chrysene
Chrysene appears as a crystalline solid. Denser than water and insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Toxic by ingestion. Used to make other chemicals. Chrysene is an ortho-fused polycyclic arene found commonly in the coal tar. It has a role as a plant metabolite. Chrysene is a natural product found in Camellia sinensis with data available. Chrysene is an aromatic hydrocarbon in coal tar, allied to naphthalene and anthracene. It is a white crystalline substance, C18H12, of strong blue fluorescence, but generally colored yellow by impurities. Chrysene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning of organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds. (L10) An ortho-fused polycyclic arene found commonly in the coal tar. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1]. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1].
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).
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).
Decitabine
C8H12N4O4 (228.08585119999998)
Decitabine is indicated for treatment of patients with myelodysplastic syndrome (MDS). It is a chemical analogue of cytidine, a nucleoside present in DNA and RNA. Cells in the presence of Decitabine incorporate it into DNA during replication and RNA during transcription. The incorporation of Decitabine into DNA or RNA inhibits methyltransferase thereby causing demethylation in that sequence. This adversely affects the way that cell regulatory proteins are able to bind to the DNA/RNA substrate. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Decitabine (NSC 127716) is an orally active deoxycytidine analogue antimetabolite and a DNA methyltransferase inhibitor. Decitabine incorporates into DNA in place of cytosine can covalently trap DNA methyltransferase to DNA causing irreversible inhibition of the enzyme. Decitabine induces cell G2/M arrest and cell apoptosis. Decitabine has potent anticancer activity[1][2].
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.
Propyl propane thiosulfonate
Propyl propane thiosulfonate 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 .
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).
3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid
5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal
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
Glycerol 1,2-dimethacrylate
Morph
C10H16N2O4 (228.11100159999998)
1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-
C8H12N4O4 (228.08585119999998)
L-Prolyl-4-hydroxy-L-prolin
C10H16N2O4 (228.11100159999998)
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
C10H16N2O4 (228.11100159999998)
Loganetin
Loganetin is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has a role as a plant metabolite and an antibacterial agent. It is a methyl ester, an iridoid monoterpenoid, a lactol, a cyclopentapyran, an enoate ester and a secondary alcohol. Loganetin is a natural product found in Scaevola floribunda, Calycophyllum spruceanum, and other organisms with data available. An iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. Loganetin is a non-toxic natural product that may be applied in the antibacterial agent development for treating multidrug-resistant Gram negative infections.
Aaptamine
Aaptamine is a natural product found in Aaptos, Aaptos aaptos, and other organisms with data available.
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
Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
Dehydrolindestrenolide
(E,Z)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate
(3-Chloro-adamantan-1-yl)-acetic acid
C12H17ClO2 (228.09170120000002)
Aspernigrin A
A member of the class of 4-pyridones that is 4-pyridone in which the hydrogens at positions 3 and 6 have been replaced by aminocarbonyl and benzyl groups, respectively. It has been isolated from the Cynodon dactylon-associated endophytic fungus Cladosporium herbarum IFB-E002 and from a sponge-derived Aspergillus niger.
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
(-)-(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,
(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
(3S,4R,5R,7S,8S,9S)-8,11-epoxy-7-hydroxy-3-methoxydihyronepetalactone|jatamanin I
10-desmethyl-1-methyl-5,6-dihydroeudesma-1,3,5(10)-triene-12,8beta-olide
1-Hydroxy-6-isopropyl-3-[2-(methylthio)-ethyl]-2(1H)-pyazinone
furanoeudesma-1,4-diene-6-one|furanogermacr-1(10)Z,4Z-dien-6-one
(1R,4S,4aS,7aS)-4,7-Dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-methoxygardendiol
2R-Catalponon|Catalponol-diketon|catalponone|Epicatalponon
(+)-(4aS,9aR,10S)-1,4,4a,9a,10-pentahydro-10-hydroxy-3-methyl-anthracen-9-one|rubiasin C
(2E)-4-methoxy-2-(nitrosomethylidene)-6-phenyl-1H-pyridine
rel-(2S,3R)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
4,N2-dimethyl-1H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Parazoanthoxanthin B
(2S)-4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)-2-hydroxypent-3-anoic acid|dasycarpus acid
3,7-Dimethyl-5-isopropyl-1-oxo-1H-indene-6-carbaldehyde
dihydro-3-hydroxy-4-(hydroxymethyl)-3-(1-hydroxy-hexa-2,4-dien-1-yl)-2(3H)-furanone
1-beta-Hydroxydihydrocornin aglycone/ 1alpha-Hydroxydihydrocornin aglycone
12-HYDROXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONE
Dihydropinosylvinmethylether
Phenol, 3-methoxy-5-(2-phenylethyl)- is a natural product found in Pinus flexilis, Pinus balfouriana, and other organisms with data available.
Ozagrel
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
Pro-Hyp
C10H16N2O4 (228.11100159999998)
A dipeptide composed of L-proline and L-hydroxyproline residues. It is a biomarker for bone collagen degradation.
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based: Match]
Agmatine sulfate
Agmatine sulfate exerts modulatory action at multiple molecular targets, such as neurotransmitter systems, ion channels and nitric oxide synthesis. It is an endogenous agonist at imidazoline receptor and a NO synthase inhibitor.
Depdecin
A polyketide that is depudecin with a methyl hydrogen substituted with a hydroxy group.
Decitabine
C8H12N4O4 (228.08585119999998)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2083 - DNA Methyltransferase Inhibitor C274 - Antineoplastic Agent > C132686 - Demethylating Agent D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Decitabine (NSC 127716) is an orally active deoxycytidine analogue antimetabolite and a DNA methyltransferase inhibitor. Decitabine incorporates into DNA in place of cytosine can covalently trap DNA methyltransferase to DNA causing irreversible inhibition of the enzyme. Decitabine induces cell G2/M arrest and cell apoptosis. Decitabine has potent anticancer activity[1][2].
Hpro-pro
C10H16N2O4 (228.11100159999998)
pro-HPro
C10H16N2O4 (228.11100159999998)
Descarbamylnovobiocin
C10H16N2O4 (228.11100159999998)
1-(2,2-diethoxyethoxy)-2-fluorobenzene
C12H17FO3 (228.11616640000003)
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(1-methylethyl)-2-thioxo-,methylester(9CI)
(4-(PHENOXYMETHYL)PHENYL)BORONIC ACID
C13H13BO3 (228.09576980000003)
2-(1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)pyridine
C11H11F3N2 (228.08742819999998)
3-(3-aminophenyl)-N,N-dimethylpropanamide(SALTDATA: 2HCl)
N,N-Diallyltartramide
C10H16N2O4 (228.11100159999998)
4-oxo-8-propan-2-yloxy-1H-quinoline-3-carbonitrile
Methyl 1-(1-Methoxy-1,3-dioxopropan-2-yl)cyclopentane-1-carboxyl
Urea, N-(1,1-dimethylethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)- (9CI)
4-(aminomethyl)piperidineinformamidine dihydrochloride
2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-1,3-propanediol
3,4,5-trimethoxyphenylacetic-2,2-d2 acid
C11H12D2O5 (228.09667375599997)
ETHYL 2-(TERT-BUTOXYCARBONYLAMINO)-2-CYANOACETATE
C10H16N2O4 (228.11100159999998)
ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
(4-Methoxy-[1,1-biphenyl]-4-yl)boronic acid
C13H13BO3 (228.09576980000003)
3-Pyridazinecarboxamide, 6-[(phenylmethyl)amino]
C12H12N4O (228.10110619999998)
Benzaldehyde, 3-(ethenyloxy)-4-(4-methyl-1H-imidazol-1-yl)
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)
(2E,4E,6E,8E,10E,12E)-pentadeca-2,4,6,8,10,12,14-heptaenoic acid
1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-one
1,4-DIMETHOXYPERHYDROQUINOXALIN-2,3-DIONE
C10H16N2O4 (228.11100159999998)
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)
2-(5-CHLOROPENT-1-YN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C11H18BClO2 (228.10883080000002)
1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole
C11H11F3N2 (228.08742819999998)
1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
(4,5-DIPHENYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETICACID
C8H12N4O4 (228.08585119999998)
(3-METHOXY-[1,1-BIPHENYL]-4-YL)BORONIC ACID
C13H13BO3 (228.09576980000003)
2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethanol
C12H12N4O (228.10110619999998)
Thiobutabarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
2-Amino-N,N-dimethyl-3-phenylpropanamidehydrochloride
4-[6-(TRIFLUOROMETHYL)PYRID-2-YL]-1,2,3,6-TETRAHYDROPYRIDINE
C11H11F3N2 (228.08742819999998)
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
1-Benzyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
C11H11F3N2 (228.08742819999998)
4-(1-Hydroxy-1-phenyl)methylphenylboronic acid
C13H13BO3 (228.09576980000003)
4-METHYL-2-PHENYL-5-PYRIMIDINECARBOHYDRAZIDE
C12H12N4O (228.10110619999998)
4-(1,1-dimethylethyl)-1-Naphthalenecarboxylic acid
(3aR,5S,6S,6aR)-6-[[(3aR,5S,6S,6aR)-6-hydroxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-yl]-hydroxymethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-carbaldehyde
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].
(E)-4-methoxy-2-phenylpyridine-6-carbaldehyde oxime
Fenpentadiol
C12H17ClO2 (228.09170120000002)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
C12H12N4O (228.10110619999998)
N-[(E)-(4-methylphenyl)methylideneamino]furan-2-carboxamide
(3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
1H-Indole-3-acetonitrile, 1-(trimethylsilyl)-
C13H16N2Si (228.10826959999997)
(2S)-2-Amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol
5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal
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)
methyl (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate
(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)
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid
A member of the class of phenazines that is 1,4,10,10a-tetrahydrophenazine substituted at position 1 by a carboxy group (the 1R,10aS-diastereomer).
(1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid
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.
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
C8H12N4O4 (228.08585119999998)
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
caerulomycin K
A pyridine alkaloid that is 2-phenylpyridine substituted by a methoxy group at position 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
6-[(1r,3r)-1,3-dihydroxypentyl]-4-methoxypyran-2-one
(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
5-[(1r,2s)-1,2-dihydroxybutyl]-4-methoxy-6-methylpyran-2-one
2,12-dimethoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,3,5,8(13),9,11-hexaene
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
4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
4-hydroxy-4-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
(2s)-3-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
(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"}
(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003123","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003135","Ingredient_name": "(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-amino-4-[(3-methyl-2,5-dihydrofuran-2-yl)-c-hydroxycarbonimidoyl]butanoic acid
C10H16N2O4 (228.11100159999998)
(1r,2s,5r,8s)-1-[(1s,2r)-1,2-dihydroxypropyl]-8-hydroxy-2-methyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
3-hydroxy-3-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-yl]-4-(hydroxymethyl)oxolan-2-one
(5z)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2r)-2-hydroxypropyl]furan-2-one
methyl 1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
1-(1,2-dihydroxypropyl)-8-hydroxy-2-methyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
(2e,8z)-deca-2,8-dien-4,6-diyn-1-yl 3-methylbut-2-enoate
6-methyl-3,9-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
5-[(2s,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
n-[(4-methoxy-6-phenylpyridin-2-yl)methylidene]hydroxylamine
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
(1s,3r,9r,10r)-9-methoxy-3-methyl-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione
1-hydroxy-3-[2-(methylsulfanyl)ethyl]-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
1-[(1s)-1-hydroxyethyl]-9h-pyrido[3,4-b]indol-3-ol
(2r,3s)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
methyl (2r,3r,6r,7r)-2,6,7-trimethyl-4-oxo-1,5-dioxaspiro[2.5]octane-6-carboxylate
5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undecan-10-one
methyl 1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(1s,9r,10r,12s)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]trideca-3,7-dien-5-one
(4r,5s,6r)-4,5,6-trihydroxy-2-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-2-en-1-one
5-[(2s,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-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
(1s,3s,5r,8r,9r,11r)-5-methoxy-3-methyl-2,6,12-trioxatetracyclo[6.4.0.0³,¹¹.0⁵,⁹]dodecan-11-ol
2,2-dimethyl-4-(3-methylbut-3-en-1-yn-1-yl)-3h-1-benzofuran-7-ol
6,9-dimethyl-3-methylidene-3ah,4h,5h,9bh-azuleno[4,5-b]furan-2-one
(5z)-5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2r)-2-hydroxypropyl]furan-2-one
(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)
(5e)-5-[(2r,3s)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
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
5-(1,2-dihydroxybutyl)-4-methoxy-6-methylpyran-2-one
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
methyl (1r,4as,5r,7s,7ar)-1,5-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(5e)-5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
1-methyl-3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid
(2s,3as,5's,6as)-5'-(2-hydroxyethyl)-tetrahydrospiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
(3e,5e,7e)-trideca-3,5,7-trien-9,11-diyn-1-yl acetate
(4r,5r,6s,7s,10r)-4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
(1s,2s)-2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undeca-5,7-diene-4,9-dione
methyl (1r,4as,6s,7r,7ar)-1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
methyl (4s,4ar,6s,7r,7ar)-6-hydroxy-7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-4-carboxylate
2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undeca-5,7-diene-4,9-dione
11-methoxy-2-methyl-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,8,10-hexaen-12-ol
(1r,2r,5s,6s,8s,11r)-5,11-dihydroxy-2,8-dimethyl-7,9-dioxatricyclo[6.2.1.0¹,⁶]undecan-10-one
(2e,8e)-deca-2,8-dien-4,6-diyn-1-yl (2e)-2-methylbut-2-enoate
2,12-dimethoxy-7,11-diazatricyclo[6.4.1.0⁴,¹³]trideca-1(12),2,4,6,8(13),9-hexaene
5-[(2r,3r)-2,3-dihydroxybutylidene]-3-[(2s)-2-hydroxypropyl]furan-2-one
(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
2-[(5r)-3,8-dimethyl-5,6-dihydroazulen-5-yl]prop-2-enoic acid
(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
(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
1-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)propane-1,3-diol
(5s)-3,4,5-trimethyl-5h,6h,7h-naphtho[2,3-b]furan-8-one
(1r,2r)-1-(3,4-dimethoxyphenyl)propane-1,2,3-triol
(8r)-1,5,8-trimethyl-7h,8h,9h-naphtho[2,1-b]furan-6-one
(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
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)
