Exact Mass: 252.120897
Exact Mass Matches: 252.120897
Found 500 metabolites which its exact mass value is equals to given mass value 252.120897,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cimetidine
C10H16N6S (252.11570959999997)
A histamine congener, it competitively inhibits histamine binding to histamine H2 receptors. Cimetidine has a range of pharmacological actions. It inhibits gastric acid secretion, as well as pepsin and gastrins output. It also blocks the activity of cytochrome P-450 which might explain proposals for use in neoadjuvant therapy. [PubChem] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3722 KEIO_ID C208; [MS2] KO008913 KEIO_ID C208 Cimetidine (SKF-92334) is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine has anti-cancer and anti-inflammatory activity[1][2][5].
cis-Hinokiresinol
cis-Hinokiresinol, a type of lignan, is a natural compound found in various plants, particularly conifers like cypress. Lignans, including cis-Hinokiresinol, have garnered significant interest in the field of pharmacology and nutrition due to their diverse biological functions: 1. **Antioxidant Activity**: cis-Hinokiresinol exhibits antioxidant properties, which means it can help neutralize harmful free radicals in the body. This activity is important for protecting cells from oxidative stress, which is associated with aging and various diseases. 2. **Anti-Inflammatory Effects**: The compound has been found to possess anti-inflammatory properties. Chronic inflammation is linked to numerous diseases, including heart disease, cancer, and autoimmune disorders. By reducing inflammation, cis-Hinokiresinol may contribute to the prevention or treatment of these conditions. 3. **Anticancer Potential**: Some studies suggest that lignans, including cis-Hinokiresinol, may have anti-cancer properties. They may influence cancer cell growth, apoptosis (cell death), and angiogenesis (formation of new blood vessels in tumors). However, more research is needed to fully understand these effects. 4. **Estrogenic and Anti-Estrogenic Activities**: cis-Hinokiresinol and other lignans can bind to estrogen receptors in the body, exhibiting both estrogenic and anti-estrogenic effects. This dual activity might be beneficial in conditions where estrogen balance is crucial, such as in hormone-related cancers. 5. **Prebiotic Effects**: In the gut, lignans can be metabolized by gut bacteria into compounds with estrogenic or anti-estrogenic properties. This transformation contributes to the overall hormonal balance in the body and may have implications for health.
3-Hydroxyhexobarbital
C12H16N2O4 (252.11100159999998)
Methyl 3,4,5-trimethoxycinnamate
Methyl-3,4,5-trimethoxy cinnamate is an alkyl cinnamate obtained by the formal condensation of the carboxy group of 3,4,5-trimethoxycinnamic acid with methanol. It is a member of methoxybenzenes and an alkyl cinnamate. Methyl 3,4,5-trimethoxycinnamate is a natural product found in Hedysarum polybotrys, Piper arborescens, and other organisms with data available. Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices. Methyl 3,4,5-trimethoxycinnamate is isolated from Piper longum (long pepper) and other plant species. Isolated from Piper longum (long pepper) and other plant subspecies Methyl 3,4,5-trimethoxycinnamate is found in herbs and spices.
Alanyltyrosine
C12H16N2O4 (252.11100159999998)
Alanyltyrosine is a dipeptide composed of alanine and tyrosine. 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.
Tyrosyl-Alanine
C12H16N2O4 (252.11100159999998)
Tyrosyl-Alanine is a dipeptide composed of tyrosine and alanine. 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.
2-Phenylethyl 3-phenyl-2-propenoate
2-Phenylethyl 3-phenyl-2-propenoate is a food flavour. It is isolated from the buds of Populus balsamifera (balsam poplar Food flavour. Isolated from the buds of Populus balsamifera (balsam poplar)
2,3-Butanediol glucoside
2,3-Butanediol glucoside is found in herbs and spices. 2,3-Butanediol glucoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol glucoside is found in herbs and spices.
1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione
1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is found in herbs and spices. 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione is a constituent of Eugenia caryophyllata (clove) oil
3'-Hydroxyhexobarbital
C12H16N2O4 (252.11100159999998)
3-Hydroxyhexobarbital is only found in individuals that have used or taken Hexobarbital. 3-Hydroxyhexobarbital is a metabolite of Hexobarbital. 3-hydroxyhexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
3alpha-Hydroxyoreadone
3alpha-Hydroxyoreadone is found in mushrooms. 3alpha-Hydroxyoreadone is a metabolite of Marasmius oreades (fairy ring mushroom Metabolite of Marasmius oreades (fairy ring mushroom). 3alpha-Hydroxyoreadone is found in mushrooms.
Phenylalanylserine
C12H16N2O4 (252.11100159999998)
Phenylalanylserine is a dipeptide composed of phenylalanine and serine. 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. L-Phenylalanyl-L-serine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=16053-39-7 (retrieved 2024-07-15) (CAS RN: 16053-39-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Prolyl-Histidine
C11H16N4O3 (252.12223459999998)
Prolyl-Histidine is a dipeptide composed of proline and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylphenylalanine
C12H16N2O4 (252.11100159999998)
Serylphenylalanine is a dipeptide composed of serine 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.
Epoxy-hexobarbital
C12H16N2O4 (252.11100159999998)
Epoxy-hexobarbital is only found in individuals that have used or taken Hexobarbital. Epoxy-hexobarbital is a metabolite of Hexobarbital. Epoxy-hexobarbital belongs to the family of Barbituric Acid Derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
Histidylproline
C11H16N4O3 (252.12223459999998)
Histidylproline is a dipeptide composed of histidine and proline. 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.
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil of Leptospermum scoparium (red tea). Constituent of the essential oil of Leptospermum scoparium (red tea). 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione is found in tea.
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is found in herbs and spices. (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is a constituent of Alpinia galanga (greater galangal) rhizomes. Constituent of Alpinia galanga (greater galangal) rhizomes. (1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene is found in herbs and spices.
Cinnamyl phenylacetate
Cinnamyl phenylacetate is a flavouring ingredient. Flavouring ingredient
QH(2)
Qh(2) is part of the Oxidative phosphorylation, Cardiac muscle contraction, Alzheimers disease, Parkinsons disease, and Huntingtons disease pathways. It is a substrate for: Cytochrome b-c1 complex subunit Rieske, mitochondrial.
4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile
C14H12N4O (252.10110619999998)
1-Butyl-3-(pyridine-4-carbonylamino)thiourea
C11H16N4OS (252.10447659999997)
H-beta-Ala-Tyr-OH
C12H16N2O4 (252.11100159999998)
Uracil analogue
C12H16N2O4 (252.11100159999998)
Alanyl-Tyrosine
C12H16N2O4 (252.11100159999998)
Histidinyl-Proline
C11H16N4O3 (252.12223459999998)
Sch 642305
A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme.
Jasomontanone
[1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate
1-Ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman
Aspergillide C
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadeca-9,12-dien-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
1-Methyl-2-benzyl-1,2,3,4-tetrahydroquinazoline-4-one
C16H16N2O (252.12625659999998)
Effusol
Effusol is a natural product found in Juncus setchuensis, Juncus effusus, and Juncus acutus with data available. Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1]. Effusol, a phenolic constituent from Juncus effuses, exhibits potent scavenging activity for DPPH and ABTS radicals, with IC50 values of 79 μM and 2.73 μM, respectively. Effusol rescues CA1 LTP attenuated by corticosterone, defending the hippocampal function against stress-induced cognitive decline[1].
6-Amino-3-methyl-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C14H12N4O (252.10110619999998)
2-Methyl-5-methoxy-7-hydroxy-8-(2-hydroxyethyl)-2,3-dihydro-4H-1-benzopyran-4-one
Frequentin
An antibiotic produced by Penicillium frequentans Westling. CONFIDENCE isolated standard
3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1055
N5-(4-Hydroxybenzyl)-glutamin|N5-(4-hydroxybenzyl)glutamine
C12H16N2O4 (252.11100159999998)
(2R,5R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydro-5-hydroxy-8,8a-dimethyl-3-oxonaphthalene-2-yl acetate
3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid ethyl ester
2-(1,2-dihydroxyisopropyl)-5,6-dimethoxybenzofuran|2-(5,6-dimethoxy-benzofuran-2-yl)-propane-1,2-diol
1-Ethoxy-3,4-dihydro-8-hydroxy-6-methoxy-1H-2-benzopyran-7-carboxaldehyde|emehetin
5-(2-hydroxyethyl)-2-hydroxymethyl--2,5-dimethyl-indan-4,7-diol|russujaponol L
rel-(1R,2S,3R)-2,3-dihydro-5-(2-hydroxymethyl)-6-(hydroxymethyl)-2,4-dimethyl-1H-indene-1,3-diol|semipterosin A
4,8-dihydroxy-7-(2-hydroxy-ethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
(3E,5S,6E,8S,9E,14R)-5,8-dihydroxy-14-methyloxacyclotetradeca-3,6,9-trien-2-one|mutolide
2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzaldehyde
5-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
2-<2-Hydroxy-1,1-bis(hydroxymethyl)ethyl>-5,5-bis(hydroxymethyl)-1,3-dioxan
(pyrimidin-2,5-diyl)-bis-propionic acid dimethyl ester
C12H16N2O4 (252.11100159999998)
2,3-bis(hydroxymethyl)-7-hydroxy-6-methoxy-1-tetralone
A member of the class of tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, two hydroxymethyl groups at positions 2 and 4 and a methoxy group at position 6. It has been isolated from Taxus yunnanensis. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors
(+)-5-chloro-7,11-helianane|(S)-(+)-5-chloro-7,11-helianane|(S)-5-chloro-7,11-helianane
2-(3-chloro-1 ,3-dimethylcyclohexyl)-5-methylphenol
(2-acetoxy)-6-hept-4-enyl-5,6-dihydro-2-H-pyran-2-one
((3S)-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine-3r,7t-diyl)-bis-methanol|(3S)-3r,7t-bis-hydroxymethyl-4,6,7,9-tetrahydro-1H,3H-dipyrano[3,4-b;4,3-e]pyrazine|(S,S)-isopalythazine|Isopalythazin|isopalythazine
C12H16N2O4 (252.11100159999998)
(3Z, 6S, 7S, 8Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
L-N-<2-(3-pyridyl)ethyl>-glutamic acid|L-N-[2-(3-pyridyl)ethyl]-glutamic acid|N-<2-(3-pyridyl)ethyl>-L-glutamic acid
C12H16N2O4 (252.11100159999998)
2,3-Dihydro-12,13-dihydroxyeuparin
(+)-(7S,8R,8R)-4,8-dihydroxy-3-methoxy-1,2,3,4,5,6-hexanorligna-7,7-lactone
3-ethoxy-4-hydroxymethyl-7-methoxy-6-methyl-3H-isobenzofuran-1-one|dihydrogladiolic acid ethyl lactal
5-hydroxy-6-(2-hydroxyethyl)-7-methoxy-2-methylchroman-4-one
(R,E)-1-(4-(3-hydroxyprop-1-enyl)phenoxy)-3-methylbutane-2,3-diol
(3R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one|(R)-7-hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
(3S*,4S*)-7-ethyl-3,4-dihydro-3,4,8-trihydroxy-6-methoxynaphthalen-1(2H)-one|(3S,4S)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-1(2H)-naphthalenone|botryosphaerone D
2,4-dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde
methyl 2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetate
6-(2,4-dihydroxy-5-methylphenyl)-6-oxohexanoic acid
4beta-hydroxy-9beta-acetoxy-11,12,13-trinor-5-eudesmen-7-one
1beta-hydroxy-4-oxo-11betaH-4-noreudesman-6,12-olide
(3aR,5aR,7S,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-3a-hydroxy-7-(hydroxymethyl)-9b-methylnaphtho[1,2-c]furan-1(3H)-one|oblongolide E
(3aR,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide B
2,4-dihydroxy-3(2,3-epoxy-3-methylbutyl)-6-methoxybenzaldehyde
2,6-Dimethyl-3-O-methyl-4-(2-methylbutyryl)phloroglucinol
2,5-Diamino-4-hydroxypentanoic acid-N5-Benzoyl|Ndelta-benzoyl-L-gamma-hydroxyornithine
C12H16N2O4 (252.11100159999998)
1-(2-Hydroxy-3,5-dimethyl-4,6-dimethoxyphenyl)-2-methyl-1-propanone
8-carboxyl-3-hydroxy-5-methoxy-2-dimethyl chroman|8-carboxyl-3-hydroxy-5-methoxy-2-dimethylchroman
2,3-O-Benzylidene-beta-D-Pyranose-1,6-Anhydromannose
8,9-epoxy-11-nor-7-driman-12-oic acid|nebularic acid B
(+)-<2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)>-6-methoxybenzaldehyde|(+)-[2,4-dihydroxy-3(2-(R)-hydroxy-3-methyl-3-butenyl)]-6-methoxybenzaldehyde
4-chloro-1-(2-hydroxy-4-methylphenyl)-1 ,3-dimethylcyclohexane
Trinexapac-ethyl
CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4593 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4433; ORIGINAL_PRECURSOR_SCAN_NO 4431 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4076 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4447; ORIGINAL_PRECURSOR_SCAN_NO 4445 CONFIDENCE standard compound; INTERNAL_ID 53; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4224 CONFIDENCE standard compound; EAWAG_UCHEM_ID 151
4-(4-Methyl-pent-3-enyl)-cyclohex-4-ene-1,2-dicarboxylic acid
methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione
C13H16O5_8-Methyl-3,4,6,10b-tetrahydropyrano[3,2-c]isochromene-4a,7,9(2H)-triol
(2R)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione
Cimetidine
C10H16N6S (252.11570959999997)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Cimetidine (SKF-92334) is an orally active and inverse histamine H2 receptor antagonist with a Ki of 0.6 μM. Cimetidine is a gastric acid reducer, and can be used for duodenal and gastric ulcers research. Cimetidine has anti-cancer and anti-inflammatory activity[1][2][5].
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_major
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_minor
(8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione_48.9\\%
Epoxy-hexobarbital
C12H16N2O4 (252.11100159999998)
Ala-tyr
C12H16N2O4 (252.11100159999998)
A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage.
His-pro
C11H16N4O3 (252.12223459999998)
A dipeptide formed from L-histidine and L-proline residues.
Phe-ser
C12H16N2O4 (252.11100159999998)
A dipeptide that is the N-(L-phenylalanyl) derivative of L-serine.
Pro-his
C11H16N4O3 (252.12223459999998)
Ser-phe
C12H16N2O4 (252.11100159999998)
A dipeptide that is the N-(L-seryl) derivative of L-phenylalanine.
Tyr-ala
C12H16N2O4 (252.11100159999998)
A dipeptide formed from L-tyrosine and L-alanine residues.
2-Butanoyl-4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione
(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene
3a-Hydroxyoreadone
Antibiotic LL-D253alpha
2-(2-(tert-Butoxycarbonyl)hydrazinyl)benzoic acid
C12H16N2O4 (252.11100159999998)
TERT-BUTYL (4-FORMYL-2-METHOXYPYRIDIN-3-YL)CARBAMATE
C12H16N2O4 (252.11100159999998)
Methyl 4-((tert-butoxycarbonyl)amino)nicotinate
C12H16N2O4 (252.11100159999998)
4-(Carboxy-hydroxy-methyl)-benzoic acid tert-butyl ester
2-[(4-ethylamino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methyl-p ropanenitrile
C10H16N6S (252.11570959999997)
3-(Diethoxyphosphinyl)-2-methylpropanoic acid ethyl ester
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Butanoic acid,2-(diethoxyphosphinyl)-, ethyl ester
1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
C16H16N2O (252.12625659999998)
4-[2-(4-Nitrophenoxy)ethyl]morpholine
C12H16N2O4 (252.11100159999998)
2-[4-(3-NITRO-2-PYRIDYL)PIPERAZINO]ETHAN-1-OL
C11H16N4O3 (252.12223459999998)
1,5-DIISOPROPYL-2,4-DINITRO-BENZENE
C12H16N2O4 (252.11100159999998)
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid
C12H16N2O4 (252.11100159999998)
4-(4-Methoxy-phenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine
C16H16N2O (252.12625659999998)
N-PYRROLIDIN-3-AMINO-3-(2-CHLOROPHENYL)PROPIONAMIDE
4-(Methoxycarbonyl)furan-2-boronic acid pinacol ester
C12H17BO5 (252.11689820000004)
4-((tert-butoxycarbonylamino)methyl)picolinic acid
C12H16N2O4 (252.11100159999998)
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline
C14H12N4O (252.10110619999998)
(5-(((TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRIDIN-3-YL)BORONIC ACID
1-(3-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-(4-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-(2-CHLORO-PHENYL)-3-PYRROLIDIN-1-YL-PROPYL]-METHYL-AMINE
1-[2-AMINO-1-(3-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
C13H17FN2O2 (252.12739940000003)
1-[2-AMINO-1-(4-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
C13H17FN2O2 (252.12739940000003)
1-BENZYL-4-CYANO-4-HYDROXYPIPERIDINE HYDROCHLORIDE 98
2-(3-Chlorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H18BClO2 (252.10883080000002)
2-((tert-Butoxycarbonyl)amino)-2-(pyridin-2-yl)acetic acid
C12H16N2O4 (252.11100159999998)
2-Fluoro-4-Methoxyphenylboronic acid pinacol ester
(2S,3S)-1-(2-METHYLAMINO-2-PHENYL-ETHYL)-PYRROLIDIN-3-OL
Trimethoxy[1-(4-vinylphenyl)ethyl]silane
C13H20O3Si (252.11816500000003)
1,4-Benzenedicarboxamide,N1,N4-bis(2-hydroxyethyl)-
C12H16N2O4 (252.11100159999998)
1-(3-Methoxy-4-nitrophenyl)piperidin-4-ol
C12H16N2O4 (252.11100159999998)
(S)-BENZYL (3-HYDROXY-1-(METHYLAMINO)-1-OXOPROPAN-2-YL)CARBAMATE
C12H16N2O4 (252.11100159999998)
2-(3-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(2S,4R)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(2S,4S)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(METHYLAMINO)PROPANOIC ACID
C12H16N2O4 (252.11100159999998)
tert-butyl N-(4-methyl-3-nitrophenyl)carbamate
C12H16N2O4 (252.11100159999998)
4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-phenyl-
C16H16N2O (252.12625659999998)
TERT-BUTYL 4-FORMYL-5-METHOXYPYRIDIN-3-YLCARBAMATE
C12H16N2O4 (252.11100159999998)
6-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)NICOTINIC ACID
C12H16N2O4 (252.11100159999998)
N-ALPHA-CBZ-GLYCINE N-METHOXY-N-METHYLAMIDE
C12H16N2O4 (252.11100159999998)
BENZYL3-FLUOROPIPERIDIN-4-YLCARBAMATE
C13H17FN2O2 (252.12739940000003)
N-alpha-Cbz-L-2,4-diaminobutyric acid
C12H16N2O4 (252.11100159999998)
4-CHLORO-5-METHOXY-1H-PYRROLO[2,3-B]PYRIDINE
C12H16N2O4 (252.11100159999998)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetic acid
tert-Butyl ((3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate hydrochloride
BIS(TRIMETHYLSILOXY)METHYLMETHOXYSILANE
C8H24O3Si3 (252.10331940000003)
2-(Boc-amino)-2-(3-pyridinyl)acetic Acid
C12H16N2O4 (252.11100159999998)
Methyl 3-fluoro-4-(4-methyl-1-piperazinyl)benzoate
C13H17FN2O2 (252.12739940000003)
(2-((TERT-BUTYLDIMETHYLSILYL)OXY)PHENYL)BORONIC ACID
3-Amino-4-fluoro-1-piperidinecarboxylic acid benzyl ester
C13H17FN2O2 (252.12739940000003)
(E)-3-[2-[(2-methylphenyl)methoxy]phenyl]prop-2-enal
3-(4-methoxyphenyl)-3,4-dihydronaphthalen-1(2H)-one
4-(3-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
C16H16N2O (252.12625659999998)
4-(2-methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
C16H16N2O (252.12625659999998)
2-(6-((tert-Butoxycarbonyl)amino)pyridin-2-yl)acetic acid
C12H16N2O4 (252.11100159999998)
1H-SPIRO[PIPERIDINE-4,3-QUINOLIN]-2(4H)-ONE HYDROCHLORIDE
2,2,3,3-Tetrahydro-1,1-spirobi[1H-indene]-7,7-diol
2-(4-Dimethylamino-phenyl)-1H-benzoimidazol-5-yl-amine
tert-Butyl methyl(3-nitrophenyl)carbamate
C12H16N2O4 (252.11100159999998)
5-(3-Benzyloxyphenyl)-1H-tetrazole
C14H12N4O (252.10110619999998)
3-Chloro-4-Methylphenylboronic acid pinacol ester
C13H18BClO2 (252.10883080000002)
2-(4-(CHLOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C13H18BClO2 (252.10883080000002)
(2-(1H-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methanol
C14H12N4O (252.10110619999998)
METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)NICOTINATE
C12H16N2O4 (252.11100159999998)
1-(6-Methyl-2-pyridinyl)-2-[1,2,4]triazolo[1,5-a]pyridine-6-yl-ethanone
C14H12N4O (252.10110619999998)
1,4-Benzenedicarboxylicacid, 2,5-diamino-, 1,4-diethyl ester
C12H16N2O4 (252.11100159999998)
1-[2-HYDROXY-6-(2-HYDROXYPROPOXY)-3-PROPYLPHENYL]ETHAN-1-ONE
METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)PICOLINATE
C12H16N2O4 (252.11100159999998)
N-[4-(Ethoxycarbonylamino)Phenyl]Carbamic Acid Ethyl Ester
C12H16N2O4 (252.11100159999998)
DIMETHYL 3,3-(PYRAZINE-2,5-DIYL)DIPROPANOATE
C12H16N2O4 (252.11100159999998)
N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
4-[2-(3-nitrophenoxy)ethyl]morpholine
C12H16N2O4 (252.11100159999998)
2-(2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-ETHOXY-4-(2-HYDROXY-1,1-DIMETHYL-ETHYL)-BENZOIC ACID METHYL ESTER
Methyl 5-((tert-butoxycarbonyl)amino)nicotinate
C12H16N2O4 (252.11100159999998)
4-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
C16H16N2O (252.12625659999998)
2-Chloro-4-methylphenylboronic acid pinacol ester
C13H18BClO2 (252.10883080000002)
N-(4-Anilinophenyl)-Methacrylamide
C16H16N2O (252.12625659999998)
2-(3,4-Dimethoxyphenyl)-3-methyl-buttersaeuremethylester
1-Butyl-3-methylimidzolium trifluoroacetate
C10H15F3N2O2 (252.10855660000001)
6-(1,2,4-triazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazole
4-[2-(tert-Butoxycarbonyl)hydrazino]benzoic acid
C12H16N2O4 (252.11100159999998)
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
C12H16N2O4 (252.11100159999998)
4-amino-3-((tert-butoxycarbonyl)amino)benzoic acid
C12H16N2O4 (252.11100159999998)
(1S,4S)-(+)-2-(3,4-DICHLORO-BENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE
2-(4-Fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-[3-(Benzyloxy)phenyl]-1H-tetrazole
C14H12N4O (252.10110619999998)
7-BENZYL-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
4-chloro-2-methylphenylboronic acid pinacol ester
C13H18BClO2 (252.10883080000002)
2-(methylthio)pyrimidine-5-boronic acid pinacol ester
C11H17BN2O2S (252.11037320000003)
4-[2-(2-nitrophenoxy)ethyl]morpholine
C12H16N2O4 (252.11100159999998)
Efaroxan hydrochloride
Efaroxan hydrochloride is a potent, selective and orally active α2-adrenoceptor antagonist, with antidiabetic activity. Efaroxan hydrochloride is a selective I1-Imidazoline receptor antagonist. Efaroxan hydrochloride can be used for the research of cardiovascular disease[1][2][3].
CIRAZOLINE HYDROCHLORIDE
Cirazoline hydrochloride (LD 3098 hydrochloride) is a potent competitive full?α1A-adrenergic receptor (α1A-AR) agonist (Ki=120 nM) and only a partial agonist at α1B-AR (Ki= 960 nM) and α1D-AR (Ki=660 nM)[1].
5-Chloro-2-Methylphenylboronic acid, pinacol ester
C13H18BClO2 (252.10883080000002)
Poly(divinylbenzene-co-trimethyl(vinylbenzyl)ammonium chloride)
C10H16N6S (252.11570959999997)
It is used as a food additive .
2-(2-Fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
benzyl 3-aMino-4-fluoropiperidine-1-carboxylate
C13H17FN2O2 (252.12739940000003)
(R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethan-1-ol
2-(4-ETHYL-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
2-(4-CHLOROBENZYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C13H18BClO2 (252.10883080000002)
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
(R)-2,2,3,3-TETRAHYDRO-1,1-SPIROBI[INDENE]-7,7-DIOL, >=95
2-Fluoro-3-methoxyphenylboronic acid pinacol ester
METHYL 3-((TERT-BUTOXYCARBONYL)AMINO)PICOLINATE
C12H16N2O4 (252.11100159999998)
5,6-DIMETHYL-7-(4-METHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
5-(2,6-DIMETYLMORPHOLINO)-2-NITROPHENOL
C12H16N2O4 (252.11100159999998)
N-(benzotriazol-1-ylmethyl)benzamide
C14H12N4O (252.10110619999998)
2-(4-AMINO-1-(4-FLUOROPHENYL)PIPERIDIN-4-YL)ACETIC ACID
C13H17FN2O2 (252.12739940000003)
RS 8359
C14H12N4O (252.10110619999998)
D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
Methyl 5-Fluoro-2-(4-Methylpiperazino)benzoate
C13H17FN2O2 (252.12739940000003)
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}benzenolate
C14H12N4O (252.10110619999998)
2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Butyl-3-(pyridine-4-carbonylamino)thiourea
C11H16N4OS (252.10447659999997)
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
C14H12N4O (252.10110619999998)
(4S,8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione
N-(4-anilinophenyl)cyclopropanecarboxamide
C16H16N2O (252.12625659999998)
Benzoic acid, p-(trimethylsiloxy)-, propyl ester
C13H20O3Si (252.11816500000003)
Methyl 2-phenyl-3-[(trimethylsilyl)oxy]propanoate
C13H20O3Si (252.11816500000003)
Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester
C13H20O3Si (252.11816500000003)
4-(Phenyloxy)butanoic acid trimethylsilyl ester
C13H20O3Si (252.11816500000003)
Ethyl (4-[(trimethylsilyl)oxy]phenyl)acetate
C13H20O3Si (252.11816500000003)
Ethyl (3-[(trimethylsilyl)oxy]phenyl)acetate
C13H20O3Si (252.11816500000003)
Ethyl (2-[(trimethylsilyl)oxy]phenyl)acetate
C13H20O3Si (252.11816500000003)
1,3-Bis(p-hydroxyphenyl)pentane-1,4-diene
A norlignan that is pentane-1,4-diene in which a hydrogen at position 1 and a hydrogen at position 3 are replaced by p-hydroxyphenyl groups. The isomer in which the 1,2-disubstituted double bond has Z configuration is known as nyasol; the corresponding E isomer is hinokiresinol.
(-)-Hinokiresinol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1E,3S configuration. A natural product found in Chamaecyparis obtusa.
(2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-3-hydroxypropanoate
C12H16N2O4 (252.11100159999998)
(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbaldehyde
C16H16N2O (252.12625659999998)
[(1S)-1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethyl]-methoxyphosphinic acid
1-[4,5-Bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidine-2,4-dione
C12H16N2O4 (252.11100159999998)
9-Phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline
N-hydroxy-4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboximidamide
(1S,2R)-4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide
C13H17FN2S (252.10964140000002)
N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine
C16H16N2O (252.12625659999998)
13,15-Dimethyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,8,10,12,14-hexaene
6-(cyclohexylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
C11H16N4O3 (252.12223459999998)
1-cyano-2-methyl-3-[2-[(5-methyl-4H-imidazol-4-yl)methylthio]ethyl]guanidine
C10H16N6S (252.11570959999997)
(4R)-4,8-dimethylnonyl hydrogen sulfate
C11H24O4S (252.13952239999998)
An alkyl sulfate that is the sulfuric ester of (4R)-4,8-dimethylnonan-1-ol.
(E)-Methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)acrylate
C14H13BN2O2 (252.10700280000003)
Isopropyl 4-trimethylsilyloxybenzoate
C13H20O3Si (252.11816500000003)
4-Methoxyphenylpropionic acid trimethylsilyl ester
C13H20O3Si (252.11816500000003)
2-Methoxyphenylpropionic acid, trimethylsilyl ester
C13H20O3Si (252.11816500000003)
Mandelic acid, ethyl ester, trimethylsilyl-
C13H20O3Si (252.11816500000003)
3-Methoxyphenylpropionic acid, TMS
C13H20O3Si (252.11816500000003)
4-Propoxybenzoic acid trimethylsilyl ester
C13H20O3Si (252.11816500000003)
4-[(1Z,3S)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione
(-)-Nyasol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1Z,3R configuration. A natural product found in Anemarrhena asphodeloides.
(+)-nyasol
A 1,3-bis(p-hydroxyphenyl)pentane-1,4-diene that has 1Z,3S configuration. A natural product found in Asparagus africanus and Asparagus cochinchinensis.
His-Pro zwitterion
C11H16N4O3 (252.12223459999998)
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Pro. Major species at pH 7.3.
(2r,5r,8s,8ar)-5-hydroxy-8,8a-dimethyl-3-oxo-1,2,5,6,7,8-hexahydronaphthalen-2-yl acetate
(8s,8ar)-3-[(2r)-butan-2-yl]-8,8a-dihydroxy-4-methyl-7,8-dihydro-1h-isochromen-6-one
(3s,3ar,5ar,7s,9as,9br)-3,3a-dihydroxy-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
4-[(1z,4z)-5-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenol
4,4,7a-trimethyl-2-oxo-hexahydronaphtho[1,2-b]oxirene-1a-carboxylic acid
(2s)-5-methoxy-4,6,6-trimethyl-2-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
10-hydroxy-14-methyl-1-oxacyclotetradeca-6,8-diene-2,5-dione
[13-(hydroxymethyl)-5,12-dioxa-2,9-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]methanol
C12H16N2O4 (252.11100159999998)
8-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,8-dien-3-one
3-(hepta-1,3,5-trien-1-yl)-5,6-dihydroxy-2-(hydroxymethyl)cyclohexan-1-one
1-acetyl-1,7-dihydroxy-4,4-dimethylspiro[4.5]dec-6-en-8-one
(2s)-5-(2-hydroxyethyl)-2-(hydroxymethyl)-2,6-dimethyl-1,3-dihydroindene-4,7-diol
2-{[2-(pyridin-3-yl)ethyl]amino}pentanedioic acid
C12H16N2O4 (252.11100159999998)
4-hydroxy-3-methyl-6-(5-methyl-6-oxoheptyl)pyran-2-one
[12-(hydroxymethyl)-5,13-dioxa-2,9-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]methanol
C12H16N2O4 (252.11100159999998)
2-benzyl-1-methyl-2h-quinazolin-4-ol
C16H16N2O (252.12625659999998)