Exact Mass: 294.1184112
Exact Mass Matches: 294.1184112
Found 500 metabolites which its exact mass value is equals to given mass value 294.1184112,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aspartame
Aspartame is the name for an artificial, non-carbohydrate sweetener, aspartyl-phenylalanine-1-methyl ester; i.e., the methyl ester of the dipeptide of the amino acids aspartic acid and phenylalanine. It is marketed under a number of trademark names, such as Equal, and Canderel, and is an ingredient of approximately 6,000 consumer foods and beverages sold worldwide. It is commonly used in diet soft drinks, and is often provided as a table condiment. It is also used in some brands of chewable vitamin supplements. In the European Union, it is also known under the E number (additive code) E951. Aspartame is also one of the sugar substitutes used by diabetics. Upon ingestion, aspartame breaks down into several constituent chemicals, including the naturally-occurring essential amino acid phenylalanine which is a health hazard to the few people born with phenylketonuria, a congenital inability to process phenylalanine. Aspartic acid is an amino acid commonly found in foods. Approximately 40\\\% of aspartame (by mass) is broken down into aspartic acid. Because aspartame is metabolized and absorbed very quickly (unlike aspartic acid-containing proteins in foods), it is known that aspartame could spike blood plasma levels of aspartate. Aspartic acid is in a class of chemicals known as excitotoxins. Abnormally high levels of excitotoxins have been shown in hundreds of animals studies to cause damage to areas of the brain unprotected by the blood-brain barrier and a variety of chronic diseases arising out of this neurotoxicity. Compd. with 100 times the sweetness of sucrose. Artificial sweetener permitted in foods in EU at 300-5500 ppmand is also permitted in USA. Widely used in foods, beverages and pharmaceutical formulations D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2770 Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener[1][2].
Tuliposide B
Tuliposide b is a member of the class of compounds known as hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Tuliposide b is soluble (in water) and a very weakly acidic compound (based on its pKa). Tuliposide b can be found in garden onion, which makes tuliposide b a potential biomarker for the consumption of this food product.
5,10-dihydro-9-dimethylallylphenazine-1-carboxylic acid
A member of the class of phenazines that is 5,10-dihydrophenazine substituted at positions 1 and 9 by carboxy and dimethylallyl groups respectively.
6-tuliposide B
A 6-O-acyl-D-glucose in which the 6-acyl group is specified as (3S)-3,4-dihydroxy-2-methylidenebutanoyl. A secondary metabolite with potent antibacterial activity, occurring specifically in tulip anthers.
Tyrphostin B42
C17H14N2O3 (294.10043740000003)
D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
Musk ketone is a light yellow crystalline solid. Insoluble in water. (NTP, 1992) 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is an aromatic ketone. Musk ketone is a natural product found in Moschus with data available. 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is listed in the EAFUS Food Additive Database (Jan 2001 Listed in the EAFUS Food Additive Database (Jan 2001) D000970 - Antineoplastic Agents Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].
Alosetron
Alosetron is a 5-HT3 antagonist used only for the management of severe diarrhoea-predominant irritable bowel syndrome (IBS) in women. Alosetron has an antagonist action on the 5-HT3 receptors and thus may modulate serotonin-sensitive gastrointestinal (GI) processes. Alosetron was voluntarily withdrawn from the US market in November 2000 by the manufacturer due to numerous reports of severe adverse effects including ischemic colitis, severely obstructed or ruptured bowel, and death. In June 2002, the FDA approved a supplemental new drug application allowing the remarketing of the drug under restricted conditions of use. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AE - Serotonin receptor antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D005765 - Gastrointestinal Agents
gamma-Glutamylphenylalanine
gamma-Glutamylphenylalanine is a dipeptide composed of gamma-glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It is probably formed by transpeptidation between glutathione and the corresponding amino acid, catalyzed by gamma-glutamyl transpeptidase (PMID: 237763). gamma-Glutamylphenylalanine belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylphenylalanine 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. It can be detected in the urine of patients with phenylketonuria, which is a human genetic disorder due to the lack of phenylalanine hydroxylase to metabolize phenylalanine to tyrosine (Wikipedia). gamma-Glutamylphenylalanine is found in adzuki bean, onion (Allium cepa), garlic (Allium sativum), and soybean. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1]. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].
1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene
1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is found in green vegetables. 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is a constituent of the cultured cells of asparagus (Asparagus officinalis). Constituent of the cultured cells of asparagus (Asparagus officinalis). 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is found in green vegetables.
Glutamylphenylalanine
Glutamylphenylalanine is a dipeptide composed of glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylphenylalanine 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.
Glyzarin
Glyzarin is found in herbs and spices. Glyzarin is a constituent of Glycyrrhiza glabra (licorice)
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses. L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is isolated from Phaseolus angularis (Azuki bean). Isolated from Phaseolus angularis (Azuki bean). L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses.
Tocopheronic acid
Human metabolite of a-Tocopherol
Ethyl (S)-3-hydroxybutyrate glucoside
Ethyl (S)-3-hydroxybutyrate glucoside is found in fruits. Ethyl (S)-3-hydroxybutyrate glucoside is a constituent of the fruit of mountain papaya Carica pubescens
Cyclocalopin F
Cyclocalopin F is found in mushrooms. Cyclocalopin F is isolated from Boletus calopus and other Boletus species. Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin F is found in mushrooms.
(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene
(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is found in nuts. (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is a constituent of Arachis hypogaea (peanuts). Constituent of Arachis hypogaea (peanuts). (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is found in nuts.
7-Acetoxy-2-methylisoflavone
7-Acetoxy-2-methylisoflavone is found in herbs and spices. 7-Acetoxy-2-methylisoflavone is isolated from Glycyrrhiza glabra (licorice
Distichonic acid A
Distichonic acid A is found in cereals and cereal products. Distichonic acid A is produced by Hordeum vulgare (barley). Production by Hordeum vulgare (barley). Distichonic acid A is found in barley and cereals and cereal products.
Ginsenoyne B
Ginsenoyne B is found in tea. Ginsenoyne B is present in ginseng root. Present in ginseng root. Ginsenoyne B is found in tea.
Phenylalanylglutamic acid
Phenylalanylglutamic acid is a dipeptide composed of phenylalanine and glutamic acid. 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.
Rosoxacin
C17H14N2O3 (294.10043740000003)
Rosoxacin is a quinolone derivative antibiotic for the treatment of bacterial infection of respiratory tract, urinary tract, GI, CNS and immuno compromised patients. Rosoxacin is known to be effective against penicillin resistant strains and is a single dose orally administered drug, which avoids all complications of parenteral administration seen with penicillin, especially anaphylactic shock. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents
Hydroxyprolyl-Tyrosine
Hydroxyprolyl-Tyrosine is a dipeptide composed of hydroxyproline 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tyrosylhydroxyproline
Tyrosylhydroxyproline is a dipeptide composed of tyrosine and hydroxyproline. 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.
3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one is found in fruits. 3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one is a constituent of the roots of Mangifera indica (mango)
Distichonic acid B
Distichonic acid B is found in cereals and cereal products. Distichonic acid B is from Hordeum vulgare (barley). From Hordeum vulgare (barley). Distichonic acid B is found in barley and cereals and cereal products.
Nigellidine
Nigellidine is found in herbs and spices. Nigellidine is an alkaloid from seeds of Nigella sativa (black cumin). Alkaloid from seeds of Nigella sativa (black cumin). Nigellidine is found in herbs and spices.
Mono-(2-ethyl-5-hydroxyhexyl) phthalate
Mono-(2-ethyl-5-hydroxyhexyl) phthalate, also known as 40321-99-1 or phthalic acid mono(2-ethyl-5-hydroxyhexyl) ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. 40321-99-1 is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer) Mono-(2-ethyl-5-hydroxyhexyl) phthalate is a metabolite of mono(2-ethylhexyl) phthalate (MEHP) and a secondary metabolite of di(2-ethylhexyl) phthalate (DEHP) [Exposome-Explorer]. Di(2-ethylhexyl) phthalate (DEHP) is added to polyvinyl chloride (PVC) plastics used widely in medical devices and toys to impart flexibility and durability (Pubmed: 16332407).
Tyrphostin B42
C17H14N2O3 (294.10043740000003)
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
5'-N-Methylcarboxamidoadenosine
Lanceolatin C
Pongamol (Lanceolatin C) is potent α-glucosidase inhibitor (IC50=103.5 μM) and has free-radical (DPPH) scavenging,antihyperglycemic, and antihyperglycemic activities[1].
Lidofenin
Tanshinone IIA
3-Isopentadienyl-3',4,5'-trihydroxystilbene
3-isopentadienyl-3,4,5-trihydroxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 3-isopentadienyl-3,4,5-trihydroxystilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-isopentadienyl-3,4,5-trihydroxystilbene can be found in peanut, which makes 3-isopentadienyl-3,4,5-trihydroxystilbene a potential biomarker for the consumption of this food product.
gamma-Glutamylphenylalanine
γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1]. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].
1ST40088
1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione is an abietane diterpenoid. Tanshinone IIA is a natural product found in Salvia miltiorrhiza, Salvia digitaloides, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
2-methoxy-4-[3-methyl-5-(1-propenyl)-2-benzofuranyl]-phenol
Emmotin B
Corianin
A sesquiterpene lactone containing an epoxide group and two tertiary hydroxy groups that has been isolated from the fruits of Coriaria ruscifolia and Coriaria japonica.
7-(2,3-Dihydroxy-3-methylbutyloxy)-5-hydroxy-5-methoxycoumarin
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-9-hydroxy-8b-methyl-9-(1-methylethyl)-, [1aR-(1a.alpha.,2a.beta.,3.beta.,6.beta.,6a.beta.,8aS*,8b.beta.,9R*)]-
5-Hydroxy-7-[2-(4-hydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran
pongamol
Pongamol (Lanceolatin C) is potent α-glucosidase inhibitor (IC50=103.5 μM) and has free-radical (DPPH) scavenging,antihyperglycemic, and antihyperglycemic activities[1].
Tanshinone IIA
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
ethyl 5-amino-1-(1,3-dimethyl-4-nitropyrazol-5-yl)pyrazole-4-carboxylate
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-1-(phenylmethyl)-
11-(phenylcarbonyl)-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.738 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.734
hydroxymethylenetanshinquinone
botryosphaerin B|rel-(3aS,5aR,6S,9aS,9bR)-1,2,3a,5a,6,7,8,9,9a,9b-decahydro-10a-hydroxy-3a-(hydroxymethyl)-6,9a-dimethyl-2-oxonaphtho[2,1]furan-6-carboxylic acid
4-hydroxy-5-propionyl-1,3-di-O-methyl-2-O-isopentenylpyrogallol
1,2-Methylendioxy-6-nitroso-6abeta-aporphan|1,2-methylenedioxy-6-nitroso-6abeta-aporphane|5H-benzo[g]-1,3-benzodioxolo[5,6,4]quinoline-6,7,7a,8-tetrahydro-7-nitroso-(7aR)|N-nitrosoanonaine
C17H14N2O3 (294.10043740000003)
(3aS*,6R*,6aR*,9R*,9aR*,9bR*)-3a,4,5,6,6a,9,9a,9b-octahydro-6,9-dihydroxy-6a-methoxy-6,9-dimethyl-3-methyleneazuleno<4,5-b>furan-2(3H)-one
(3Z,9Z,12E)-7-acetoxy-6-chloropentadeca-3,9,12-trien-1-yne
8beta-hydroxy-8alpha-methoxy-3-oxo-eremophil-1,7(11)-dien-12-oic acid
(3R),(6R)-6-hydroxy-de-O-methyllasiodiplodin|(3R,6S)-6-hydroxy-de-O-methyllasiodiplodin|F7855-2
(+-) merrilactone A|(-)-merrilactone A|(S,S)-merrilactone A|merrilactone A
(6R,7R)-3-cis,9-cis,12-cis,6-acetoxy,7-chloro-pentadeca-3,9,12-trien-1-yne|6(R),7(R)-3-cis-9-cis-12-cis-6-acetoxy-7-chloropentadeca-3,9,12-trien-1-yne
Benzyl glycoside,2,3-O-isopropylidene-beta-D-Furanose-Riburonic acid
9,10-Anthracenedione, 2-acetyl-1-hydroxy-3,6-dimethyl-
Me ester-(??)-Phaseic acid|Me ester-楼?脥-楼?脦-Phaseic acid
(3aR*,9bS*)-2,3,3a,9b-tetrahydro-3a,6-dihydroxy-2,8-dimethoxy-2-methylnaphtho[1,2-b]furan-5(4H)-one|balticol F
1-(2,2-Dimethyl-5,6,7-trimethoxy-alpha-chromene-8-yl)ethanol
2,2,6-Trimethyl-4-(acetoxymethyl)-5-(2-chloroethyl)indan
5-Hydroxy-4-methylpentansaeure-5-O-beta-glucosid|gamma-methyl-delta-hydroxy-pentanoic acid beta-D-glucopyranoside|gamma-Methyl-delta-hydroxy-pentansaeureglucosid
3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester
1,5(10),6,8,13-abietapentaene-3,11,12-trione|saligerone
1,2-Dihydro-1,6-dimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
termilignan B
An olefinic compound that is 2,3-dimethylbuta-1,3-diene substituted by a 4-hydroxyphenyl and a 1,3-benzodioxol-5-yl group. It has been isolated from Terminalia sericea.
1-Hydroxy-2-acetyl-3,7-dimethyl-9,10-anthraquinone
6-(3-carboxybutyl)-7-hydroxy-5-methoxy-4-methylphthalan-1-one
5-Hydroxy-7-methoxy-8-(4-hydroxy-3-methylbutoxy)coumarin
1-Oxo-8alpha-hydroxy-2alpha,5alpha-peroxyeudesm-3-en-11betaH-12,6alpha-olide
Isotanshinone IIA
Isotanshinone IIA is a natural product found in Salvia miltiorrhiza and Salvia glutinosa with data available.
1,3-Propanedione, 1-(4-methoxy-5-benzofuranyl)-3-phenyl-
3-Methyl-6-hydroxy-8-phenethyl-2,5-dihydro-1-benzooxepin-5-one
(1S,2R,5R,6S,7S,8S,10R)-6-hydroxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
(4S,5S,6R,10R)-8,9-seco-12-hydroxyeremophil-7(11)-en-14,6;12,8-diolid-9-al
3-Methoxy-4-methyl-5-(3-methyl-2-butenyloxy)phthalic acid
5-Ethyl-7,12-etheno-6,5-(iminoethano)-2,3,4,5-tetrahydro-1H-1-benzoazonine-2,13-dione
rel-(7R,8R)-3,4-methylenedioxy-4?,7-epoxy-8,3?-neolignan-7?[E]-ene
2alpha-methoxy-8alpha-hydroxy-6-oxogermacra-1(10),7(11)-dien-8,12-olide
chiritalone B|rel-(2R,3aS,4R,9aR)-3a,4,8,9a-tetrahydroxy-2,3,3-trimethyl-2,3,3a,4,9a-pentahydronaphtho[2,3-b]furan-9-one
(E)-3-(3,5-dimethoxy-4-((2R)-methylbutyryloxy)phenyl)prop-2-enol|dichrocephol A
amabiose|beta-D-glucopyranosyl(1->5)beta-D-hemslofuranosyl(1->2)
Me ester -(1(10)E,4alpha,6alpha)-15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid|Methyl 15-hydroxy-4betaH-germacra-1(10)E,11(13)-trien-6alpha,12-olide-14-oic acid
3-O-beta-D-glucopyranosyl-2-deoxy-D-ribono-gamma-lactone
(4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-one
4beta-acetoxy-6alpha-hydroxy-1alpha.10betaH-pseudoguaia-11(13)-en-12.8alpha-olide
12-Demethylmultiorthoquinone
A diterpenoid that is multiorthoquinone in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity.
1beta,10beta-Epoxy-6beta-hydroxy-8beta-methoxyeremophil-7(11)-en-12,8alpha-olide
3,8-dihydroxy-13-methoxy-4(15),10(14)-guaiadien-12,6-olide
6alpha-acetoxy-4beta-hydroxy-1alpha,10betaH-pseudoguaia-11(13)-en-12.8alpha-olide
3,4-Dihydroxy-5-(2-acetoxy-3-methyl-3-butenyl)benzoic acid methyl ester
7-methoxy-8-(2,3-dihydroxy-3-methylbutoxy)-coumarin
Distichonic acid B
2-Methyl-4-(1-oxo-4,6-dimethyl-7-hydroxy-1,3-dihydroisobenzofuran-5-yloxy)butyric acid
6-acetyl-2alpha,5-dihydroxy-2-(2-hydroxypropyl)- 3alpha,8-dimethylchroman
arglanilic acid methyl ester|artanoate|methyl(4R,5S,6S,7S,10R)-1-oxo-4,6-dihydroxy-eudesma-2,11(13)-dien-12-oate
4-(7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol
AG-490
C17H14N2O3 (294.10043740000003)
Nigellidine
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)heptan-1-imine
1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one
Aspartame
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IAOZJIPTCAWIRG-QWRGUYRKSA-N_STSL_0231_Aspartame_0031fmol_190114_S2_LC02MS02_038; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. CONFIDENCE standard compound; INTERNAL_ID 5809 Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener[1][2].
(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid
(E)-4-hydroxy-4-[4-oxo-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
2-(2-hydroxyphenyl)-4-phenylbenzene-1,3,5-triol
C19H18O3_Phenol, 2-methoxy-4-[3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]
C15H18O6_Pentaleno[1,6a-c]pyran-9-carboxylic acid, 1,3,4,7,7a,9a-hexahydro-4-hydroxy-4-(hydroxymethyl)-6,7-dimethyl-3-oxo-, (4R,7S,7aR,9aR)
C17H14N2O3_(3S,3R)-4-Methyl-3-phenylspiro[1,4-benzodiazepine-3,2-oxirane]-2,5(1H,4H)-dione
C17H14N2O3 (294.10043740000003)
alosetron
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AE - Serotonin receptor antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D005765 - Gastrointestinal Agents
7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
Dicarboxyl-2Et-A4EO3
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
Musk ketone
D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2455 Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].
Tanshinone II
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents Origin: Plant; SubCategory_DNP: Diterpenoids, Abietane diterpenoids D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
(4R,5S or 4S,5R)-4-hydroxy-5-((?-D-glucopyranosyloxy)methyl)dihydrofuran-2(3H)-one
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based on: CCMSLIB00000847435]
3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based on: CCMSLIB00000847387]
3-(2,4-dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one [IIN-based: Match]
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based: Match]
(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid [IIN-based: Match]
(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid [IIN-based on: CCMSLIB00000846906]
(1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid_major
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one_major
rosoxacin
C17H14N2O3 (294.10043740000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents
N-gamma-L-Glutamyl-L-phenylalanine
Tocopheronic acid
Ethyl (S)-3-hydroxybutyrate glucoside
(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine
Distichonic acid A
Cyclocalopin F
1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene
1-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
N-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine,hydrochloride
tert-butyl N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
3-pyridineacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-a-oxo-, ethyl ester
Puromycin aminonucleoside
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Puromycin aminonucleoside (NSC 3056) is the aminonucleoside portion of the antibiotic puromycin, and used in nephrosis animal models[1]. Puromycin aminonucleoside induces apoptosis[2]. Puromycin aminonucleoside is a reversible inhibitor of dipeptidyl peptidase II and cytosol alanyl aminopeptidase[3]. Puromycin aminonucleoside induces secretion of cell migrasome[4].
6-Methyl-2-(4-methylphenyl) imidazo [1,2-a]-pyridine-3-acetate methyl ester
5-(4-(Benzyloxy)phenyl)-1H-pyrazole-3-carboxylic acid
C17H14N2O3 (294.10043740000003)
Methyl 3-fluoro-4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C15H20BFO4 (294.14386020000006)
ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate
(2-FLUORO-PHENYLAMINO)-ACETICACIDHYDRAZIDE
C17H14N2O3 (294.10043740000003)
Ethanedioic acid,1,2-bis[2-(phenylmethylene)hydrazide]
2-Amino-3-phthalimid-1-ylpropiophenone
C17H14N2O3 (294.10043740000003)
6-phenyl-4-(3-phenylaziridin-2-yl)-3-oxa-5-azabicyclo[3.1.0]hexan-2-ol
METHYL 4-((TERT-BUTOXYCARBONYL)AMINO)PIPERIDINE-4-CARBOXYLATE HYDROCHLORIDE
Bucloxic acid
C16H19ClO3 (294.10226539999996)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents
1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexofuranose-3-ulose monohydrate
N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide
4-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
(1E,4E)-1,5-bis(3-methoxyphenyl)penta-1,4-dien-3-one
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
Methyl 2,3-O-Isopropylidene-5-O-benzyl-β-D-ribofuranoside
1,5-DIPHENYL-4-ETHYL-3-METHYLTHIO-1H-PYRAZOLE
C18H18N2S (294.11906280000005)
6-(Dibutylamino)-1,3,5-triazine-2,4-dithiol·sodium
8-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
C15H19ClN2O2 (294.11349839999997)
2-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
C15H19ClN2O2 (294.11349839999997)
1-BENZYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDIN-4-YL ACETATE
C17H14N2O3 (294.10043740000003)
6-(3-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE
2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C18H19BO3 (294.14271740000004)
(z)-3,4-dihydro-3-(2-(4-methoxyphenyl)-2-oxoethylidene)quinoxalin-2(1h)-one
C17H14N2O3 (294.10043740000003)
2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetamide
C17H14N2O3 (294.10043740000003)
2-(4-METHOXY-PHENYL)-5-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
C17H14N2O3 (294.10043740000003)
1-(4-METHOXYPHENYL)-5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
C17H14N2O3 (294.10043740000003)
7-Nitrobenzoxadiazole-6-aminohexanoic acid
17-ethenyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
(6-BROMOHEXYLOXY)-TERT-BUTYLDIMETHYL-
C12H27BrOSi (294.10144319999995)
4-Ethoxycarbonyl-2-fluorobenzeneboronic acid pinacol ester
C15H20BFO4 (294.14386020000006)
1H-Indole-3-carboxaldehyde,2-methyl-1-[(2-nitrophenyl)methyl]-(9CI)
C17H14N2O3 (294.10043740000003)
1H-Indole,3-(2-nitroethenyl)-5-(phenylmethoxy)-
C17H14N2O3 (294.10043740000003)
Methyl 2-(4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
C15H20BFO4 (294.14386020000006)
Methyl 4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C15H20BFO4 (294.14386020000006)
2-[(6-METHOXYPYRIDIN-3-YLAMINO)METHYLENE]MALONIC ACID DIETHYL ESTER
1H-Indole-3-carboxaldehyde,2-methyl-1-[(3-nitrophenyl)methyl]-(9CI)
C17H14N2O3 (294.10043740000003)
2-(Dibenzo[b,d]furan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C18H19BO3 (294.14271740000004)
6-METHOXY-7-(2-(2-METHOXYETHOXY)ETHOXY)QUINAZOLIN-4(3H)-ONE
Methyl (2Z)-3-methoxy-2-{2-[(E)-2-phenylvinyl]phenyl}acrylate
Kelatorphan
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Fatostatin
C18H18N2S (294.11906280000005)
Fatostatin (125B11), a specific inhibitor of SREBP activation, impairs the activation of SREBP-1 and SREBP-2. Fatostatin binds to SCAP (SREBP cleavage-activating protein), and inhibits the ER-Golgi translocation of SREBPs. Fatostatin decreases the transcription of lipogenic genes in cells. Fatostatin possesses antitumor properties, and lowers hyperglycemia in ob/ob mice[1][2].
Phccc
C17H14N2O3 (294.10043740000003)
PHCCC is a Group I mGluR antagonist with an IC50 of 3 μM. PHCCC is a selective positive modulator of mGlu4 receptor. Antiparkinsonian effect[1][2].
4-(4-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide
2-[(1-Acetyl-1H-indol-3-YL)amino]benzoic acid
C17H14N2O3 (294.10043740000003)
1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
C17H14N2O3 (294.10043740000003)
7-Methoxy-2-phenylimino-1-benzopyran-3-carboxamide
C17H14N2O3 (294.10043740000003)
2-(beta-D-Glucopyranosyl)-5-methyl-1,2,3-benzimidazole
Tanshinon II
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
2-[(2-Amino-3-phenylpropanoyl)amino]pentanedioic acid
ethyl 3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
Puromycin aminonucleoside
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
(4E,6E)-1-(3,4-dihydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
(3S,4S,4aR,5R,6R,7R,7aS)-5,6-bis(hydroxymethyl)spiro[4a,6,7,7a-tetrahydro-3H-furo[2,3-b][1,4]dioxine-2,2-oxolane]-3,4,7-triol
(2R)-2-amino-3-[(E)-N-hydroxy-C-(6-methylsulfanylhexyl)carbonimidoyl]sulfanylpropanoic acid
4-[(E)-5,6-Dihydro-2,3-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
(E/Z)-AG490
C17H14N2O3 (294.10043740000003)
4-Methoxymagnaldehyde B
A lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic activity.
Angelitriol
A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation.
(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
(2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one
A natural product found in Colletotrichum species.
2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide
3-(9-carbazolylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione
4-[2-(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone
N-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
(1-Methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol
N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide
2-(5-hydroxy-1H-pyrazol-3-yl)-N-[(1E)-1-naphthylmethylene]acetohydrazide
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid
Methyl 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoate
(2R,3S,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
(E)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-dione
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole
C18H18N2S (294.11906280000005)
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid
(2R,3R,4R)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
(2S,3R,4R)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid
(2R,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-[(1E)-3-methylbuta-1,3-dienyl]benzene-1,3-diol
N-[(E)-2-Bicyclo[2.2.1]heptanylideneamino]-3-hydroxynaphthalene-2-carboxamide
3-(4-Hydroxybenzyl)-6-[2-(methylsulfanyl)ethyl]-2,5-piperazinedione
[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium
C12H16N5O4+ (294.12022360000003)
4-[[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl]phenol
(4R,5S)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-one
3-(2,4-Dihydroxypentyl)-8-hydroxy-6-methoxyisochromen-1-one
1,7-Diphenyl-5-methyl-6,8-dioxabicyclo(3.2.1)octan-3-one
1-(2-Oxopropyl)-3,4-diphenyl-2,5-dioxabicyclo(2.1.1)hexane
(E)-4-hydroxy-4-[4-oxo-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acid
MONO(2-ETHYL-5-HYDROXYHEXYL) PHTHALATE
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the primary hydroxy group of 2-ethylhexane-1,5-diol
gamma-Glu-phe
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-phenylalanine.
3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one
A diarylheptanoid that is 4E-6E-dien-3-one substituted by 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.
3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
A pyrazole that is 1H-pyrazole bearing an ethyl group at position 3, a 2-hydroxyphenyl group at position 2, and a 4-methoxyphenyl group at position 5.
gamma-Glutamylphenylalanine
A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage.
(R)-5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose
(R)-5-O-Benzoyl-1,2-di-O-isopropylidene-alpha-D-xylofuranose is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
VU0360172
C18H15FN2O (294.11683519999997)
VU0360172 is a potent and selective mGlu5 receptor positive allosteric modulator with an EC50 value of 16 nM and a Ki of 195 nM, respectively. VU0360172 stimulates polyphosphoinositide (PI) hydrolysis in vivo, which is abrogated in mGlu5 receptors gene deleted mice[1]. VU0360172 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.