Exact Mass: 236.1177396
Exact Mass Matches: 236.1177396
Found 500 metabolites which its exact mass value is equals to given mass value 236.1177396,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
CARBETAMIDE
CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3778; ORIGINAL_PRECURSOR_SCAN_NO 3775 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3852; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3781; ORIGINAL_PRECURSOR_SCAN_NO 3776 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7762; ORIGINAL_PRECURSOR_SCAN_NO 7757 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7762; ORIGINAL_PRECURSOR_SCAN_NO 7757 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7771; ORIGINAL_PRECURSOR_SCAN_NO 7769 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7800; ORIGINAL_PRECURSOR_SCAN_NO 7797 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7804; ORIGINAL_PRECURSOR_SCAN_NO 7802 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7791; ORIGINAL_PRECURSOR_SCAN_NO 7787 CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7811; ORIGINAL_PRECURSOR_SCAN_NO 7809 ORIGINAL_ACQUISITION_NO 7811; CONFIDENCE standard compound; INTERNAL_ID 383; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 7809 CONFIDENCE standard compound; EAWAG_UCHEM_ID 136
Carbamazepine
C15H12N2O (236.09495819999998)
An anticonvulsant used to control grand mal and psychomotor or focal seizures. Its mode of action is not fully understood, but some of its actions resemble those of phenytoin; although there is little chemical resemblance between the two compounds, their three-dimensional structure is similar. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8204; ORIGINAL_PRECURSOR_SCAN_NO 8202 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8207; ORIGINAL_PRECURSOR_SCAN_NO 8205 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8220; ORIGINAL_PRECURSOR_SCAN_NO 8219 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8219; ORIGINAL_PRECURSOR_SCAN_NO 8218 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8180; ORIGINAL_PRECURSOR_SCAN_NO 8179 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8184 D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 194 CONFIDENCE standard compound; INTERNAL_ID 1120 CONFIDENCE standard compound; INTERNAL_ID 30 [Raw Data] CBB02_Carbamazepine_pos_50eV.txt [Raw Data] CBB02_Carbamazepine_pos_20eV.txt [Raw Data] CBB02_Carbamazepine_pos_30eV.txt [Raw Data] CBB02_Carbamazepine_pos_10eV.txt [Raw Data] CBB02_Carbamazepine_pos_40eV.txt D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Hexobarbital
Hexobarbital is only found in individuals that have used or taken this drug. It is a barbiturate that is effective as a hypnotic and sedative. [PubChem]Hexobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABA-A receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
OCTAMETHYLTRISILOXANE
C8H24O2Si3 (236.10840439999998)
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides D001697 - Biomedical and Dental Materials
Glycosminine
C15H12N2O (236.09495819999998)
Specific inhibitor of serine protease and human leucocyte elastase. Specific inhibitor of serine protease and human leucocyte elastase
Heptyl 4-hydroxybenzoate
Heptyl 4-hydroxybenzoate, also known as heptylparaben or nipaheptyl, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Heptyl 4-hydroxybenzoate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). Heptyl 4-hydroxybenzoate is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. It is used as a food additive . CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5546; ORIGINAL_PRECURSOR_SCAN_NO 5541 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5537; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5548; ORIGINAL_PRECURSOR_SCAN_NO 5545 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5514; ORIGINAL_PRECURSOR_SCAN_NO 5512 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5539 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5540 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens It is used as a food additive .
alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile
C15H12N2O (236.09495819999998)
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
C15H12N2O (236.09495819999998)
Carboxy-ibuprofen
Carboxy-ibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)
Alanylphenylalanine
Alanylphenylalanine is a dipeptide composed of alanine and phenylalanine. 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.
Pterosin F
Constituent of Pteridium aquilinum (bracken fern). Pterosin F is found in green vegetables and root vegetables. Pterosin F is found in green vegetables. Pterosin F is a constituent of Pteridium aquilinum (bracken fern).
Proglobeflowery acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Eremopetasidione
Eremopetasidione is found in green vegetables. Eremopetasidione is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasidione is found in green vegetables.
Phenylalanylalanine
Phenylalanylalanine is a dipeptide composed of phenylalanine and alanine. 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. Phenylalanylalanine (H-Phe-Ala-OH) is a dipeptide composed of phenylalanine and alanine. Phenylalanylalanine is an incomplete breakdown product of protein digestion or protein catabolism[1].
S-aminomethyldihydrolipoamide
S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). [HMDB] S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ethyl vanillin isobutyrate
Ethyl vanillin isobutyrate is a flavouring ingredient. Flavouring ingredient
O-Desmethyl-lacosamide
O-Desmethyl-lacosamide is a metabolite of lacosamide. Lacosamide (formerly known as erlosamide) is a medication developed by UCB for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain marketed under the trade name Vimpat. The U.S. Food and Drug Administration accepted UCBs New Drug Application for lacosamide as of November 29, 2007, beginning the approval process for the drug. (Wikipedia)
N-Acetyl-5-methoxykynuramine
N-Acetyl-5-methoxykynuramine (AMK) is a melatonin metabolite. Its direct precursor, acetyl-N-formyl-5-methoxykynurenamine (AFMK), is a product of melatonin metabolization in the brain (PMID: 23963910). AMK is a potent scavenger of several reactive oxygen species (ROS) such as hydroxyl, peroxyl, and carbonate radicals as well as the non-radical singlet oxygen (PMID: 14599344, 18643875).
2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione
Cyclobarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Nafimidone
C15H12N2O (236.09495819999998)
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Oxyglutinosone
Oxyglutinosone is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Oxyglutinosone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Oxyglutinosone can be found in potato, which makes oxyglutinosone a potential biomarker for the consumption of this food product.
Isopropyl ferulate
Isopropyl ferulate, isolated from Notopterygium incisum, is used in the reduction of pharmaceuticals, preparation of antifungal agents, cosmetics and as antioxidant agent and so forth[1].
(3S,4R)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
Oxyglutinosone
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol
(3S,4S)-6-Acetyl-3,4-dihydroxy-2,2-dimethylchromane
Tetrahydro-1-(4-hydroxyphenyl)-4-methoxy-1H,3H-furo[3,4-c]furan
3-morpholino-4-tetrahydro-1h-pyrrol-1-ylcyclobut-3-ene-1,2-dione
4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
C12H16N2OS (236.09832859999997)
Redoxcitrinin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium verrucosum
9beta-hydroxy-8-oxo-12-noreremophil-6-en-11-one|rel-(1R,4aS,5S)-3-acetyl-4a,5,6,7,8,8a-hexahydro-1-hydroxy-4a,5-dimethylnaphthalen-2(1H)-one
(E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-1-yl acetate
(3E)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methylbut-3-en-2-one|sacidumol A
Dimethyl-trans-3-octenyl-phosphat|phosphoric acid dimethyl ester oct-3t-enyl ester
6alpha-acetyl-4beta,5beta-dimethyl-1(10)-ene-2alpha-hydroxy-7-oxodecalin|laevinol E
4-hydroxy-6-me~hoxy-5-(l-oxobutyl)benzo[b]dihydrofuran
methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl)benzoate
A benzoate ester that is methyl benzoate substituted by hydroxy groups at positions 3 and 4 and a prenyl group at position 5. Isolated from Piper glabratum and Piper acutifolium, it exhibits antileishmanial activity.
4-(1-hydroxy-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl)but-3-en-2-one
(1beta,11?鈥?-form-1,11-Dihydroxy-13-nor-6,9-eremophiladien-8-one|1beta-hydroxy-6,9-diene-8-oxo-11-nor-11-hydroxyeremophilane
1-(3-(1-Hydroxy-3-methylbutyl)-4-methoxyphenyl)ethan-1-one
(3aR,5aR,7S,9aS,9bR)-3a,5a,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethhylnaphtho[1,2-c]furan-1(3H)-one|(?)-oblongolide C|oblongolide C
3-hydroxy-4-(3-methylbut-2-enyloxy)benzoic acid methyl ester
3beta,4alpha,9-trihydroxy-14-norcadina-5,7,9-triene|oxyphyllenotriol A
1,5-epidioxy-14-norcarot-2-en-3-one|1,5-epidioxy-14-norcarot-2-en-4-one
1beta-hydroxyl-2-noreudesm-4(15)-en-5alpha,6beta,7alpha,11alphaH-12,6-olide|ajaniaolide A
11beta-hydroxyl-3-oxo-4(5),6(7)-diene-eudesman-12-ol
(S)-dihydrodemethoxywutaiensol|3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]propan-1-ol
(3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman
(5R,7S,10S)-5-hydroxy-13-noreudesma-3-en-2,11-dione
Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl-
6-hydroxyeupatoriochromene B|7,8-Di-Me ether-6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran
2-(4-methoxyphenyl)-ethylisovalerate|2-<4-methoxyphenyl>-ethylisovalerate
(3aS,5aR,7S,9aS,9bR)-7-(hydroxymethyl)-9b-methyl-3a,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(9bH)-one|oblongolide F
(E)-3-<1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl>propenoic acid|(E)-3-[1-(1,1-dimethyl-3-oxobutyl)imidazol-4-yl]propenoic acid|N1-(1,1-Dimethyl-3-oxobutyl)-(E)-Urocanic acid
2-ethyl-5,7-dimethoxy-chroman-4-one|2-ethyl-5,7-dimethoxychromanone
(E)-form-12-Tetradecene-8,10-diyne-1,3,14-triol,|Tetradeca-2t-en-4,6-diin-1,12,14-triol
12-Tetradecene-8,10-diyne-1,4,5-triol|tetradeca-12t-ene-8,10-diyne-1,4,5-triol
(3aS,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-7-hydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide D
2-(1-hydroxyisopropyl)-5-(1,2-dihydroxyethyl)-benzofuran|2-<1-hydroxyisopropyl>-5-<1,2-dihydroxyethyl>-benzofuran
1-n-butyl-1beta-D-fructopyranoside|1-O-butyl-beta-D-fructopyranoside
(3E)-dec-3-en-1-yl sulfate|ammonium dec-3-enyl sulfate
3-Methoxy-4-acetyl-5-methylbenzoic acid ethyl ester
3R-(2R-hydroxypropyl)-8-hydroxyl-7-methyl-3,4-dihydroisocoumarine
3-hydroxy-5-(2-isopentenyl)-4-methoxybenzoic acid|4-Me ether-3,4-Dihydroxy-5-(3-methyl-butenyl)-benzoic acid
(E)-form-6-Tetradecene-8,10-diyne-1,5,12-triol|tetradec-6t-ene-8,10-diyne-1,5,12-triol|Tetradec-trans-6-en-8.10-diin-1.5.12-triol
1-[3-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]ethanone
Butyl fructofuranoside
Butyl fructofuranoside is a natural product found in Ophiopogon japonicus, Dioscorea japonica, and Cynomorium songaricum with data available.
carbamazepine
C15H12N2O (236.09495819999998)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dexmedetomidine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Dexmedetomidine hydrochloride ((+)-Medetomidine hydrochloride) is a potent, selective and orally active agonist of α2-adrenoceptor, with a Ki of 1.08 nM. Dexmedetomidine hydrochloride shows 1620-fold selectivity against α1-adrenoceptor. Dexmedetomidine hydrochloride exhibits anxiolysis, sedation, and modest analgesia effects[1][2][3].
Medetomidine HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Medetomidine hydrochloride is an orally active α2-adrenoceptor agonist (Ki: 1.08 nM). Medetomidine hydrochloride has sedative and analgesic effects. Medetomidine hydrochloride can cause peripheral vasoconstriction through the activation of α2 adrenoceptors on blood vessels[1][2][3][4].
C13H16O4_{4-[(2-Hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetic acid
C13H16O4_1-[3-Hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
Carboxyibuprofen
A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.
(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
Ala-Phe
A dipeptide formed from L-alanyl and L-phenylalanine residues. CONFIDENCE standard compound; INTERNAL_ID 165
(2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one_major
1-[3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone_major
S-aminomethyldihydrolipoamide
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Phe-Ala
A dipeptide formed from L-phenylalanine and L-alanine residues. Phenylalanylalanine (H-Phe-Ala-OH) is a dipeptide composed of phenylalanine and alanine. Phenylalanylalanine is an incomplete breakdown product of protein digestion or protein catabolism[1].
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
(4-METHYL-BENZYL)-HYDRAZINEHYDROCHLORIDE
C15H12N2O (236.09495819999998)
(4,4-DIFLUOROCYCLOHEXYL)ACETICACID
C12H16N2OS (236.09832859999997)
2,6-bis(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
1-Benzyl-1H-benzoimidazole-2-carbaldehyde
C15H12N2O (236.09495819999998)
4-(4-METHOXY-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
6-Fluorospiro[4H-3,1-benzoxazine-4,4-piperidin]-2(1H)-one
5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
2-(3-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Tetrahydrozoline hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D019999 - Pharmaceutical Solutions > D009883 - Ophthalmic Solutions D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Tetrahydrozoline hydrochloride (Tetryzoline hydrochloride), a derivative of imidazoline, is an α-adrenergic agonist that causes vasoconstriction. Tetrahydrozoline hydrochloride is widely used for the research of nasal congestion and conjunctival congestion[1][2].
tert-butyl 2-methylpiperazine-1-carboxylate,hydrochloride
N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
2-P-TOLYLIMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
C15H12N2O (236.09495819999998)
3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBALDEHYDE
C15H12N2O (236.09495819999998)
4-(2,2-DIMETHYL-PROPIONYLAMINO)-NICOTINIC ACID METHYL ESTER
1(2H)-Naphthalenone, 3,4-dihydro-7-(phenylmethyl)-
tert-Butyl 2-amino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
4-(Piperidin-4-ylmethyl)benzonitrile hydrochloride
TERT-BUTYL 3-(AMINOMETHYL)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
(11R,12R)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE-11,12-DIAMINE
tert-butyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
5,6,7,8-TETRAHYDRO-3H-SPIRO[CYCLOHEXANE-1,4-QUINAZOLINE]-2-THIOL
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
{4-[(Tetrahydro-2H-pyran-2-yloxy)methyl]phenyl}boronic acid
C12H17BO4 (236.12198320000002)
2-Butoxy-3-formyl-5-methylphenylboronic acid
C12H17BO4 (236.12198320000002)
2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-imidazole
(S)-TERT-BUTYL 3-(METHYLAMINO)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
(5,5-DIMETHYL-2-OXO-TETRAHYDRO-FURAN-3-YL)-ACETICACID
C12H16N2OS (236.09832859999997)
(5,6,7,8-TETRAHYDRO-NAPHTHALEN-1-YL)-HYDRAZINE
C12H16N2OS (236.09832859999997)
2-MethoxypyriMidine-5-boronic acid pinacol ester
C11H17BN2O3 (236.13321620000002)
(2R,3R,5S,6S)-5,6-Bis(hydroxyMethyl)-2,3-diMethoxy-2,3-diMethyl-1,4-dioxane
(2R,3S)-5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol
1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one
C15H12N2O (236.09495819999998)
5-FLUORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-3-CARBOXALDEHYDE
C11H17BN2O3 (236.13321620000002)
tert-butyl N-[2-(azetidin-3-yl)ethyl]carbamate hydrochloride
tert-Butyl (3-aminocyclopentyl)carbamate hydrochloride
1-Pyrrolidinecarboxylic acid, 4-amino-2-(difluoromethyl)-, 1,1-d
4-(2-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
Kondensationsprodukte von Dicarbonsuren mit mehrwertigen aliphatischen Alkoholen verestert
5-amino-2-morpholin-4-yl-benzoic acid methyl ester
4-((tert-butyldimethylsilyl)oxy)benzald
C13H20O2Si (236.12325000000004)
(2S,3S,5R,6R)-5,6-Bis(hydroxyMethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
Benzenepropanoicacid,4-(2-oxiranylmethoxy)-,methylester
5-pyridin-2-yloxynaphthalen-2-amine
C15H12N2O (236.09495819999998)
3-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydropyrazol-5-amine
C11H16N4S (236.10956159999998)
4-(P-TOLYL)-1,8-NAPHTHYRIDIN-2(1H)-ONE
C15H12N2O (236.09495819999998)
2-(CYCLOHEXYLTHIO)-PYRIDINE-4-CARBOXAMIDE
C12H16N2OS (236.09832859999997)
1-[4-(1H-BENZIMIDAZOL-1-YL)PHENYL]ETHANONE
C15H12N2O (236.09495819999998)
N-(oxolan-2-ylmethyl)-2-(propan-2-ylamino)acetamide,hydrochloride
2-(3-methylphenyl)-4-pyridin-2-yl-1,3-oxazole
C15H12N2O (236.09495819999998)
(9R,10R,11S,12S)-9,10-dihydro-9,10-ethanoanthracene-11,12-diamine
1-METHYL-4-PHENYLPIPERIDINE-4-CARBONITRILE HYDROCHLORIDE
3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
C13H20O2Si (236.12325000000004)
6-(CHLOROMETHYL)-1,1,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-ethanone
C11H17BN2O3 (236.13321620000002)
(R)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride
(S)-tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
(S)-tert-Butyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride
4-[(4-methoxybenzylidene)amino]benzonitrile
C15H12N2O (236.09495819999998)
4(3H)-Quinazolinone,2-methyl-3-phenyl-
C15H12N2O (236.09495819999998)
Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl-
C15H12N2O (236.09495819999998)
2-(2,2-Dimethyl-propionylamino)-isonicotinic acid methyl ester
N-[4-(hydrazinecarbonyl)pyridin-2-yl]-2,2-dimethylpropanamide
6-Methoxypyrazine-2-boronic acid pinacol ester
C11H17BN2O3 (236.13321620000002)
2-(4,4-Difluoropiperidin-1-yl)-2-phenylacetonitrile
4-Phenyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
C15H12N2O (236.09495819999998)
(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL)BORONIC ACID
C12H17BO4 (236.12198320000002)
2-METHOXY-4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)BENZALDEHYDE
(3-((2-(DIMETHYLAMINO)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID
C11H17BN2O3 (236.13321620000002)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
C12H17BO2S (236.10422520000003)
tert-Butyl ((3-methylazetidin-3-yl)methyl)carbamate hydrochloride
4-Amino-1-piperidinecarboxylic acid tert-butyl ester hydrochloride
2,2-[(5-methyl-1,3-phenylene)bis(oxymethylene)]bis-Oxirane
pyridin-3-yl(quinolin-3-yl)methanol
C15H12N2O (236.09495819999998)
(E)-4,4,5,5-TETRAMETHYL-2-(2-(THIOPHEN-3-YL)VINYL)-1,3,2-DIOXABOROLANE
C12H17BO2S (236.10422520000003)
N-((6-CHLORO-1H-INDOL-3-YL)METHYL)-N-ETHYLETHANAMINE
5,6,7,8-TETRAHYDROSPIRO[3,1-BENZOTHIAZINE-4,1-CYCLOHEXAN]-2-AMINE
1,4]DIAZEPANE-1-CARBOXYLIC ACIDTERT-BUTYL ESTERHYDROCHLORIDE
(2-CYANO-3-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
Ethanone, 1-phenyl-,2-(1-phenylethylidene)hydrazone
3-Ethyl-1,1,1,5,5,5-hexamethyltrisiloxane
C8H24O2Si3 (236.10840439999998)
Acetamide,N-[4-(1,1-dimethylethyl)-2-nitrophenyl]-
Spiro(imidazo(1,2-a)pyridine-3(2H),2-(2H)inden)-2-one, 1,3-dihydro-
C15H12N2O (236.09495819999998)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor ZSET1446 is a novel cognitive enhancer that significantly improves learning deficits in various types of Alzheimer disease (AD) models.
3-(anilinomethylidene)-1H-indol-2-one
C15H12N2O (236.09495819999998)
2-Methyl-4-phenyl-5-(4-pyridyl)oxazole
C15H12N2O (236.09495819999998)
4,5-Diphenyl-1,5-dihydroimidazol-2-one
C15H12N2O (236.09495819999998)
Silane, (2-methoxy-4-propenylphenoxy)trimethyl-
C13H20O2Si (236.12325000000004)
6-Methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
C15H12N2O (236.09495819999998)
alpha-D-Glucopyranoside, methyl 2,3,6-tri-O-methyl-
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-4-oxo-, ethyl ester
Ethyl 1-methyl-4-oxo-1,6,7,8-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
Butyrophenone, 2-(trimethylsiloxy)-
C13H20O2Si (236.12325000000004)
Hexobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AF - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
cyclobarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
146367-85-3
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
2-[4-(2-Hydroxy-3-methylbut-3-enoxy)phenyl]acetic acid
[(3S)-3-carboxy-3-(1-carboxyethylamino)propyl]-dimethylsulfanium
(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}propanoate
3-hydroxy-5,7-di[(1E)-prop-1-en-1-yl]-3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one
5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
Decylsulfamate
An organic sulfamate oxoanion that is the conjugate base of decylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3Z,6E)-3,6-bis(methoxyimino)hexane-1,2,4,5-tetrol
C8H16N2O6 (236.10083160000002)
(8-Methylnonyl)sulfamate
An organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(3E)-dec-3-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3E)-dec-3-en-1-ol with sulfuric acid.
N,N-dihydroxytetrahomomethioninate
Conjugate base of N,N-dihydroxytetrahomomethionine.
(3Z)-dec-3-en-1-yl hydrogen sulfate
A sulfuric ester of (3Z)-dec-3-en-1-ol.
4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)benzoic acid
(4-Allyl-2-methoxyphenoxy)trimethylsilane
C13H20O2Si (236.12325000000004)
Para-(tert-butoxydimethylsilyl)benzaldehyde
C13H20O2Si (236.12325000000004)
2-Phenylbutyric acid, TMS derivative
C13H20O2Si (236.12325000000004)
2-Methyl-1-phenyl-2-(trimethylsilyloxy)propan-1-one
C13H20O2Si (236.12325000000004)
Benzoic acid, 2,4,6-trimethyl-, trimethylsilyl ester
C13H20O2Si (236.12325000000004)
3-Phenyl-3-(trimethylsilyloxy)butan-2-one
C13H20O2Si (236.12325000000004)
3-(Para-methoxyphenyl)-2-trimethylsiloxypropene
C13H20O2Si (236.12325000000004)
1,3-Dihydro-3,3-dimethyl-1-trimethylsilyl-3-silaisobenzofuran
Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-[(2,6-Dioxocyclohexyl)methyl]cyclohexane-1,3-dione
monopentyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of pentanol.
Proglobeflowery acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Phe-Ala zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-Ala; major species at pH 7.3.
FD-211
A delta-lactone that is 3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one substituted by a hydroxy group at position 3 and propenyl groups at positions 5 and 7. Isolated from the fermantation broth of Myceliophthora lutea TF-0409, it exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells.
ST1936
ST1936 is a selective, nanomolar affinity 5-HT6 receptor agonist with Ki values of 13 nM, 168 nM and 245 nM for human 5-HT6, 5-HT7 and 5-HT2B receptors, respectively. ST1936 also shows moderate affinity (Ki of 300 nM) for human and rat α2 adrenergic receptor[1].
(2s)-2-amino-5-{[hydroxy(phenyl)methylidene]amino}pentanoic acid
(5r)-5-[(1e,3e)-hexa-1,3-dien-1-yl]-2,5-dimethyl-4-oxofuran-3-carboxylic acid
2,4-dihydroxy-3,5-dimethyl-6-(3-oxobutan-2-yl)benzaldehyde
propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3r,4r,5s,6r)-3,6-diamino-4,5-dihydroxyoctanedioic acid
C8H16N2O6 (236.10083160000002)