Exact Mass: 274.1205028
Exact Mass Matches: 274.1205028
Found 500 metabolites which its exact mass value is equals to given mass value 274.1205028,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phloretin
Phloretin is the aglucone of phlorizin, a plant-derived dihydrochalcone phytochemical reported to promote potent antioxidative activities in peroxynitrite scavenging and the inhibition of lipid peroxidation. Phloretin, which is present in apples, pears and tomatoes, has been found to inhibit the growth of several cancer cells and induce apoptosis of B16 melanoma and HL60 human leukemia cells. Phloretin also inhibits HT-29 cell growth by inducing apoptosis, which may be mediated through changes in mitochondrial membrane permeability and activation of the caspase pathways. Phloretin is a well-known inhibitor of eukaryotic urea transporters, blocks VacA-mediated urea and ion transport (PMID:18158826, 11560962, 18063724, 15671209, 12083758). Phloretin is a biomarker for the consumption of apples. Phloretin has been found to be a metabolite of Escherichia (PMID:23542617). Phloretin is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, 4 and 6. It has a role as a plant metabolite and an antineoplastic agent. It is functionally related to a dihydrochalcone. Phloretin is a natural dihydrochalcone found in apples and many other fruits. Phloretin is a natural product found in Malus doumeri, Populus candicans, and other organisms with data available. A natural dihydrochalcone found in apples and many other fruits. Phloretin is a dihydrochalcone, a type of natural phenols. It is the phloroglucin ester of paraoxyhydratropic acid. It can be found in apple tree leaves. Phloretin is a biomarker for the consumption of apples. A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, 4 and 6. IPB_RECORD: 341; CONFIDENCE confident structure Phloretin (NSC 407292; RJC 02792) is a flavonoid extracted from Malus pumila Mill., has anti-inflammatory activities. Phloridzin is a specific, competitive and orally active inhibitor of sodium/glucose cotransporters in the intestine (SGLT1) and kidney (SGLT2). Phloretin inhibits Yeast-made GLUT1 as well as Human erythrocyte GLUT1 with IC50values of 49 μM and 61 μM, respectively[1].Phloretin has the potential for the treatment of rheumatoid arthritis (RA)?and allergic airway inflammation[4]. Phloretin (NSC 407292; RJC 02792) is a flavonoid extracted from Malus pumila Mill., has anti-inflammatory activities. Phloridzin is a specific, competitive and orally active inhibitor of sodium/glucose cotransporters in the intestine (SGLT1) and kidney (SGLT2). Phloretin inhibits Yeast-made GLUT1 as well as Human erythrocyte GLUT1 with IC50values of 49 μM and 61 μM, respectively[1].Phloretin has the potential for the treatment of rheumatoid arthritis (RA)?and allergic airway inflammation[4]. Phloretin (NSC 407292; RJC 02792) is a flavonoid extracted from Malus pumila Mill., has anti-inflammatory activities. Phloridzin is a specific, competitive and orally active inhibitor of sodium/glucose cotransporters in the intestine (SGLT1) and kidney (SGLT2). Phloretin inhibits Yeast-made GLUT1 as well as Human erythrocyte GLUT1 with IC50values of 49 μM and 61 μM, respectively[1].Phloretin has the potential for the treatment of rheumatoid arthritis (RA)?and allergic airway inflammation[4].
(R)-Methysticin
Methysticin is a member of 2-pyranones and an aromatic ether. Methysticin is a natural product found in Piper methysticum and Piper majusculum with data available. See also: Piper methysticum root (part of). (R)-Methysticin is found in beverages. (R)-Methysticin is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Methylsticin is a kavalactone isolated from the Piper methysticum . Methylsticin exhibit osteoclast formation inhibitory activity[1]. Methylsticin is a kavalactone isolated from the Piper methysticum . Methylsticin exhibit osteoclast formation inhibitory activity[1].
Afzelechin
Afzelechin is a tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4 respectively. It has a role as a plant metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a tetrahydroxyflavan and a catechin. It derives from a hydride of a (2S)-flavan. Afzelechin is a natural product found in Cassipourea gummiflua, Bergenia ligulata, and other organisms with data available. A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4 respectively.
Chlorpheniramine
Chlorpheniramine is a histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia. A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than Promethazine. -- Pubchem; Chlorphenamine or chlorpheniramine, commonly marketed as its salt chlorphenamine maleate (Chlor- Trimeton, Piriton, Chlor- Tripolon), is a first generation antihistamine used in the prevention of the symptoms of allergic conditions such as rhinitis and urticaria.- wikipedia [HMDB] R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
N2-Succinoylarginine
N2-Succinoylarginine is found in pomes. N2-Succinoylarginine is a constituent of the shoots of pear trees Busulfan is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death. D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents Constituent of the shoots of pear trees
alpha-Pyrufuran
alpha-Pyrufuran is found in pear. Phytoalexin from Pyrus communis (pear
beta-Pyrufuran
Phytoalexin from Pyrus communis (pear). beta-Pyrufuran is found in pomes and pear. beta-Pyrufuran is found in pear. Phytoalexin from Pyrus communis (pear
3,3',4',7-Tetrahydroxyflavan
Quebrachocatechin, of undetd. stereochem., isolated from Quebracho in 1934. Quebrachocatechol is isolated from quebrach
4,4-dihydroxy-3,5-dimethoxybibenzyl
A stilbenoid that is ethane in which one of the hydrogens is replaced by a 4-hydroxyphenyl group and one of the hydrogens of the remaining methyl group is replaced by a 4-hydroxy-3,5-dimethoxyphenyl group.
Luteoliflavan
A tetrahydroxyflavan in which the four hydroxy groups are located at positions 3, 4, 5 and 7.
(2xi,4xi)-4,4',5,7-Tetrahydroxyflavan
(2xi,4xi)-4,4,5,7-Tetrahydroxyflavan is found in cereals and cereal products. (2xi,4xi)-4,4,5,7-Tetrahydroxyflavan is isolated from cobs and silk of corn (Zea mays). Isolated from cobs and silk of corn (Zea mays). (2xi,4xi)-4,4,5,7-Tetrahydroxyflavan is found in cereals and cereal products.
5,8-Diethoxypsoralen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
(2S,3S,4R)-3,4,4',7-Tetrahydroxyflavan
(2S,3R,4R)-3,4,4,7-Tetrahydroxyflavan is found in fruits. (2S,3R,4R)-3,4,4,7-Tetrahydroxyflavan is a constituent of the seeds of Musa sapientum (banana). Constituent of the seeds of Musa sapientum (banana). (2S,3S,4R)-3,4,4,7-Tetrahydroxyflavan is found in fruits.
dikegulac
(1R,6R)-1,4,5,5a,6,9-Hexahydrophenazine-1,6-dicarboxylate
(-)-Epiafzelechin
(-)-Epiafzelechin is found in fruits. (-)-Epiafzelechin is a constituent of Actinidia chinensis (kiwi fruit) and Juniperus communis (juniper) Constituent of Actinidia chinensis (kiwi fruit) and Juniperus communis (juniper). (-)-Epiafzelechin is found in kiwi, tea, and fruits.
Dexchlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines Dexchlorpheniramine is the S-enantiomer of chlorphenamine (chloropheniramine) and is a first-generation alkylamine H1-antihistamine. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
(Z)-4-Methoxy-3,3',5,5'-tetrahydroxystilbene
(Z)-4-Methoxy-3,3,5,5-tetrahydroxystilbene is found in fruits. (Z)-4-Methoxy-3,3,5,5-tetrahydroxystilbene is isolated from Phoenix dactylifera (date). Isolated from Phoenix dactylifera (date). (Z)-4-Methoxy-3,3,5,5-tetrahydroxystilbene is found in fruits.
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is found in herbs and spices. 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is isolated from roots of Ruta graveolens (rue). Isolated from roots of Ruta graveolens (rue). 3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one is found in herbs and spices.
Gossyvertin
Gossyvertin is found in fats and oils. Gossyvertin is isolated from the stems of cotton plants (Gossypium sp.) infected with Verticillium dahliae. Isolated from the stems of cotton plants (Gossypium species) infected with Verticillium dahliae. Gossyvertin is found in fats and oils.
2,3-Epoxysesamone
2,3-Epoxysesamone is found in fats and oils. 2,3-Epoxysesamone is a constituent of Sesamum indicum (sesame). Constituent of Sesamum indicum (sesame). 2,3-Epoxysesamone is found in fats and oils.
11-Methoxynoryangonin
11-Methoxynoryangonin is found in fruits. 11-Methoxynoryangonin is isolated from a Piper sp. from New Guine
11-Hydroxyyangonin
11-Hydroxyyangonin is found in beverages. 11-Hydroxyyangonin is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Rutacultin
Rutacultin is found in herbs and spices. Rutacultin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Rutacultin is found in herbs and spices.
Hydroxysesamone
Hydroxysesamone is found in fats and oils. Hydroxysesamone is a constituent of the roots of Sesamum indicum (sesame). Constituent of the roots of Sesamum indicum (sesame). Hydroxysesamone is found in fats and oils.
4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
Batatasin II
Batatasin II is found in root vegetables. Batatasin II is a constituent of Dioscorea batatas (Chinese yam). Constituent of Dioscorea batatas (Chinese yam). Batatasin II is found in root vegetables.
Wyerone epoxide
Wyerone epoxide is found in broad bean. Wyerone epoxide is a constituent of broad bean Vicia faba seedlings infected with Botrytis species Constituent of broad bean Vicia faba seedlings infected with Botrytis subspecies Wyerone epoxide is found in pulses and broad bean.
Hemigossypolone
Hemigossypolone is found in fats and oils. Hemigossypolone is a constituent of Gossypium hirsutum (cotton)
Glutaminylglutamine
Glutaminylglutamine is a dipeptide composed of two glutamine residues. 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-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol
Glutaminyl-Gamma-glutamate
Glutaminyl-Gamma-glutamate is a dipeptide composed of glutamine and gamma-glutamate. 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.
Platydesminium
Platydesminium is found in herbs and spices. Platydesminium is an alkaloid from Ruta graveolens (rue
Afzelechin
Afzelechin is a flavan-3-ol, a type of flavonoid. It exists as at least 2 major epimers (afzelechin and epi-afzelechin). It is produced through the transformation of cis-3,4lecuopelargonidin through the action of (2R,3S)-catechin:NADP+ 4-oxidoreductase. Afzelechin can be found in many plants native to Asia such as: Astilbe rivularis (also known as waterside astilbe), Bergenia ligulate (also known as Paashaanbhed in Ayurveda traditional Indian medicine), and Wisteria floribunda (Japanese wisteria). Afzelechin also occurs in barley and rye as a member of the proanthocyanidins found in these crop plants. Afzelechin exhibits moderate inhibitory effects on tumor necrosis factor alpha (TNF-α) induced nuclear factor kappa-B (NF-kB) activation in HepG2 cells (PMID: 21985227). Afzelechin is only found in individuals who have consumed barley/rye or taken certain herbal medicines containing this compound.
Bakers yeast extract
Bakers yeast extract is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Imazamethabenz
Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibitor Herbicidal metabolite of imazamethabenz-methyl. Acetolactate synthase inhibito
(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid
(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid is found in alcoholic beverages. (1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid is present in fruit syrups, beer, vinegar and fermented syrup Present in fruit syrups, beer, vinegar and fermented syrups. (1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid is found in alcoholic beverages.
Charine
Charine is found in bitter gourd. Charine is an alkaloid from the unripe fruit of Momordica charantia (bitter melon). Alkaloid from the unripe fruit of Momordica charantia (bitter melon). Charine is found in bitter gourd and fruits.
3'-Hydroxy-O-desmethylangolensin
3-Hydroxy-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5'-Hydroxy-O-desmethylangolensin
5-Hydroxy-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6'-Hydroxy-O-desmethylangolensin
6-Hydroxy-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Diallyl 2,2'-oxydiethyl dicarbonate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
4-Alanylaminoantipyrine
4-((6-Methoxyquinolin-8-yl)amino)pentanoic acid
N-(2-Hydroxyethyl)-2-(1-isoquinolinylmethylene)hydrazinecarbothioamide
N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(dimethylamino)ethylamine
Fluzinamide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Indolophenanthridine
5-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyimidazole-4-carboxamide
3-Des(dimethylaminoethyl)-3-acetic acid zolmitriptan
1,6-anhydro-N-acetyl-beta-muramate
1,6-anhydro-n-acetyl-beta-muramate is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 1,6-anhydro-n-acetyl-beta-muramate is soluble (in water) and a weakly acidic compound (based on its pKa). 1,6-anhydro-n-acetyl-beta-muramate can be found in a number of food items such as lovage, french plantain, ceylon cinnamon, and garden cress, which makes 1,6-anhydro-n-acetyl-beta-muramate a potential biomarker for the consumption of these food products. 1,6-anhydro-n-acetyl-β-muramate is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 1,6-anhydro-n-acetyl-β-muramate is soluble (in water) and a weakly acidic compound (based on its pKa). 1,6-anhydro-n-acetyl-β-muramate can be found in a number of food items such as lovage, french plantain, ceylon cinnamon, and garden cress, which makes 1,6-anhydro-n-acetyl-β-muramate a potential biomarker for the consumption of these food products.
4-hydroxy-2-nonenal-[L-Cys] conjugate
C12H20NO4S (274.11129800000003)
4-hydroxy-2-nonenal-[l-cys] conjugate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4-hydroxy-2-nonenal-[l-cys] conjugate can be found in a number of food items such as ginkgo nuts, sweet orange, taro, and black crowberry, which makes 4-hydroxy-2-nonenal-[l-cys] conjugate a potential biomarker for the consumption of these food products.
Gigantol
Gigantol is a natural product found in Cymbidium aloifolium, Cymbidium goeringii, and other organisms with data available.
2-[(2R)-5-methoxy-2,3-dihydrofuro[3,2-i][3]benzoxepin-2-yl]propan-2-ol
3-Methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diol
3,4-Dihydroxy-3,5-dimethoxybibenzyl
Gigantol is a natural product that could be isolated from Cymbidium giganteum. Gigantol is a potent inhibitor of the spontaneous contractions of the guinea-pig ileum[1].
(+)-6-Ethenyl-2,4,5,6-tetrahydro-3,6-dimethyl-a-methylene-2-oxo-5-benzofuranacetic acid methyl ester
1-(5-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
1-Acetyl-3-((4-methoxyphenyl)methylene)tetrahydro-2,5-pyrazinedione
3-Amino-5-[4-(tert-butyl)phenyl]thiophene-2-carboxamide
2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid
3,4-O-Isopropylidene,1,2-di-O-Ac-beta-D-Pyranose-Ribose
5,7-dimethoxy-8-(3-methylbut-1-enyl)coumarin|Gleinene
8-(cis-2-Methyl-buten-(2)-oyl)-decen-(2-cis)-diin-(4,6)-saeure-methylester; Angelikaester|8--decen-(2-cis)-diin-(4,6)-saeure-methylester; Angelikaester|Angelicasaeure-cis-8-hydroxy-lachnophyllumester|Angelicasaeureester von cis-Dec-2-en-4,6-diin-8-ol-saeuremethylester
1-(4-Hydroxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)ethane
Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
3a,10b-dimethyl-1,2,3,3a,5a,7,10b,10c-octahydro-5,8-dioxa-acephenanthrylene-4,9-dione
O-Angeloyl,Me ester-(Z)-2-Hydroxy-8-decene-4,6-diynoic acid
2S-isopropenyl-4,8-dimethoxy-5-methyl-2,3-dihydrobenzo[1,2-b;5,4-b]difuran
4-[1-(3,4-dihydroxyphenyl)ethyl]-5-ethylbenzene-1,2-diol|glechomol C
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)propionate
4a,6b-dihydroxy-5-(hydroxymethyl)-2a-isopropyl-2-methyl-hexahydro-4H-1,3,6-trioxa-cyclopenta[cd]pentalen-4-one
N-[2,6-dioxo-1-(2-phenylethyl)-3-piperidinyl]acetamide
2,3-Dihydro-6-methoxy-2,3,3,9-tetramethyl-4H-furo[3,2-c][1]benzopyran-4-one
Tri-Me ether-2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene
1-Naphthalenecarboxaldehyde, 2,7-dihydroxy-8-methoxy-6-methyl-4-(1-methylethyl)-
Di-Me ester-2,4,6,8,10,12-Tetradecahexaene-1,14-dioic,acid
<1-(7-Methoxy-5-benzofuranyl)ethyl>angelat|O-Angeloyl-5-(1-Hydroxyethyl)-7-methoxybenzofuran|[1-(7-Methoxy-5-benzofuranyl)ethyl]angelat
Toddaculin
2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- is a natural product found in Zanthoxylum asiaticum with data available. Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity[1][2][3]. Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity[1][2][3].
(+)-ustusorane C|9S-methoxy-7R-methyl-2-(propan-2-ylidene)-6,7-dihydro-2H-furo[3,2-h]isochromen-3(9H)-one|ustusorane C
5,6-Dihydro-benzo[c]phenanthren-6-carbonsaeure|5,6-dihydro-benzo[c]phenanthrene-6-carboxylic acid
5-methoxy-2,8,8-trimethyl-9,10-dihydro-4H,8H-benzo<1,2-b:5,6-b>dipyran-4-one|5-methoxy-2,8,8-trimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-4-one|Dihydroalloptaeroxylin methyl ether|Isoheteropeucenin-methylether|Isoheteropeuceninmethylaether|Isoheteropeuceninmethylether|perforatin A
ACon1_000062
2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)- is a natural product found in Zanthoxylum ailanthoides, Rubia yunnanensis, and other organisms with data available.
KBio2_003599
Heteropeucenin, methyl ether is a natural product found in Harrisonia perforata with data available.
Indole-3-acetyl-L-valine
Annotation level-1 IPB_RECORD: 285; CONFIDENCE confident structure
IAA-Val , Indole-3-acetyl-L-valine
IPB_RECORD: 2321; CONFIDENCE confident structure
IAA-val
Acquisition and generation of the data is financially supported by the Max-Planck-Society
6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
PRI_275.1391_17.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1601
C13H22O6_2-Furanacetic acid, tetrahydro-alpha-methyl-5-(2-oxopropyl)-, 2,3-dihydroxypropyl ester
C14H14N2O4_Cyclohepta[b]pyrrole-3-propanoic acid, alpha-(acetylamino)-1,4-dihydro-4-oxo
chlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
dexchlorpheniramine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-hydroxy-8-methoxy-5-methyl-3-(3-methylbut-2-enyl)chromen-2-one
ascr#7
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,6R)-6-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is weakly dauer inducing and a weak male-attractant. CONFIDENCE standard compound; INTERNAL_ID 98
4-hydroxy-8-methoxy-5-methyl-3-(3-methylbut-2-enyl)chromen-2-one_major
1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)
GLN-GLN
A dipeptide formed from two L-glutamine residues.
busulfan
D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
3-(1,1-Dimethylallyl)-7,8-dimethoxycoumarin
1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-1,3-dicarboxylic acid
oscr#7
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-7-hydroxyhept-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
2-Cyano-3-Methyl-4-(4-nitro-phenyl)-but-2-enoic acid ethyl ester
5-(4-(2-BUTYL)PHENOXYMETHYL)FURAN-2-CARBOXYLICACID
2,3,4,4a,5,9B-hexahydro-2,8-dimethyl-1H-pipido[4,3-B]indola, dihydrochloride
tert-butyl 4-(1-hydroxy-2-nitroethyl)piperidine-1-carboxylate
2-Trifluoromethyl-5,6,7,8-tetrahydro-[1,7]naphthyridine-3-carboxylic acid ethyl ester
methyl (4Z)-5,5,5-trifluoro-4-(phenylhydrazinylidene)pentanoate
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-tert-butyl-acetamide
1,5-BIS-(4-FLUORO-PHENYL)-PENTAN-3-ONE
C17H16F2O (274.11691499999995)
HEXAMETHYLENEAMMONIUM HEXAMETHYLENEDITHIOCARBAMATE
4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester
C15H19BO4 (274.13763240000003)
N-(Piperidin-4-ylmethyl)-2-(thiophen-3-yl)acetamide hydrochloride
5,5,5-Trifluoro-N2-[(1R)-1-phenylethyl]-D-norvalinamide
(2-AMINO-1-PHENYL-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanenitrile
tert-Butyl (3-(4-cyanophenyl)oxetan-3-yl)carbamate
ethyl 2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylate
3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octane dihydrochloride
1-Isoquinolinecarbonitrile,2-benzoyl-1,2-dihydro-1-methyl-
7-(PROP-2-YN-1-YL)-1,3-DIPROPYL-1H-PURINE-2,6(3H,7H)-DIONE
4-PHENYL-5-(PIPERIDIN-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
2-(2-hydroxy-3-methoxy-5-methylphenyl)-6-methoxy-4-methylphenol
8-benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
(1R,5S,6S,7R)-7-Benzoyloxy-6-hydroxymethylbicyclo[3,3,0]octan-3-one
1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
N-METHYL-2-MORPHOLINO-5-(TRIFLUOROMETHYL)BENZYLAMINE
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
6-Methoxy-7-(2-methoxyethoxy)-4-oxo-1,4-dihydro-3-quinolinecarbon itrile
4-BENZYL-8-CHLORO-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N,N-diethyl-acetamide
(1R,2S,3S,5S)-METHYL 3-(4-FLUOROPHENYL)-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE
2,2-Dimethyl-N-(5-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
ETHYL 1-ALLYL-4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate
2-BENZYLOCTAHYDROPYRROLO[3,4-C]PYRROLE DIHYDROCHLORIDE
diethyl 2-propan-2-yl-1,3-dioxane-5,5-dicarboxylate
6-amino-5-nitroso-2-(2-propoxyphenyl)-1H-pyrimidin-4-one
2,2-Dimethyl-N-(3-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
5-Benzyl-2,5-diaza-spiro[3.4]octanedihydrochloride
4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXAMIDE
(S)-2-Azido-4-(Methylthio)butanoic acid cyclohexylamMonium salt
5-AMINO-1-(TERT-BUTYL)-3-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
N-(PIPERIDIN-3-YLMETHYL)-2-(THIOPHEN-3-YL)ACETAMIDE HYDROCHLORIDE
1,1,3-Propanetricarboxylicacid, 2-methyl-, 1,1,3-triethyl ester
(S)-7-Amino-5-Methyl-5,7-dihydro-6H-dibenzo[b,d]azepin-6-one Hydrochloride
6-BENZYL-4-CHLORO-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDIN-2-AMINE
N-(4-oxospiro[chroman-2,4-piperidine]-6-yl)acetamide
7-chloro-5-(cyclohexen-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
methyl-2,3:4,6-di-o-isopropylidene-d-mannopyranoside
ETHANONE, 1-[1-[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]
2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane,prop-2-enoic acid
2,6-DIMETHOXY-4-{[(PYRIDIN-3-YLMETHYL)AMINO]METHYL}PHENOL
5-(4-TERT-BUTYLPHENOXYMETHYL)FURAN-2-CARBOXYLICACID
4-(1-BUTYL)-3,4-DIFLUOROBENZOPHENONE
C17H16F2O (274.11691499999995)
tert-butyl 5-propanoylpyrrolo[3,2-b]pyridine-1-carboxylate
7-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
METHYL 5-[(TERT-BUTYLAMINO)SULFONYL]-1-METHYL-1H-PYRROLE-2-CARBOXYLATE
1,2,3,4-DI-O-ISOPROPYLIDENE-ALPHA-D-GALACTURONIC ACID
4,4-SULFONYLBIS(1,2-DIMETHYLBENZENE)
C16H18O2S (274.10274480000004)
2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanol
3-Methyl-thiophene-2-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride
(4S,5S)-2,2-diMethyl-1,3-Dioxolane-4,5-dicarboxylic acid 4,5-bis(1-Methylethyl) ester
[1-(3-Chloro-benzyl)-piperidin-3-yl]-methyl-amine hydrochloride
6H-Dibenz[b,d]azepin-6-one, 7-aMino-5,7-dihydro-5-Methyl- (hydrochloride)(1:1)
1-(1-Phenyl-cyclopropyl)-piperazine dihydrochloride
Benzofuro[2,3-b]pyridine, 2-methyl-8-(5-methyl-2-pyridinyl)-
Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)-1H-pyrazole-3-carboxylate
4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
1,2-o-cyclohexylidene-3-o-methyl-alpha-d-glucofuranose
CY 208-243
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
Ethyl 5-amino-4-cyano-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylate
Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
4-methylbenzenesulfonic acid,2-prop-2-enoxyethanol
5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(3-methylphenyl)-2-oxo-,ethylester(9CI)
1-(Chloro-1-Pyrrolidinylmethylene)Pyrrolidinium Tetrafluoroborate
4-NITRO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
N-(2-Hydroxyethyl)-2-(1-isoquinolinylmethylene)hydrazinecarbothioamide
6-Cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
2-Heptenoic acid, 6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-, (2E,6R)-
(2E)-7-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoic acid
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
4-(Dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
3,4,7-Trimethyl-5-(1-methyl-2-oxopropoxy)-2H-chromen-2-one
Acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
4-[(1,2-Dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid
(E)-2-Methyl-2-butenedioic acid bis(trimethylsilyl) ester
(2-Carbamoylmethyl-5-propyl-octahydro-indol-7-YL)acetic acid
4-{[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid
2,8-Dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Phenol, 4-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-
Gigantol is a natural product that could be isolated from Cymbidium giganteum. Gigantol is a potent inhibitor of the spontaneous contractions of the guinea-pig ileum[1].
gamma-L-glutamyl-L-alanyl-glycine
C10H16N3O6- (274.10390559999996)
(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
5-Amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyimidazole-4-carboxamide
[(2S)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-3-enoyl]oxypropyl]-trimethylazanium
N-[(1R,2S,3R,4R,5R)-3-[(1R)-1-carboxyethoxy]-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanimidate
3H-Xanthen-6-amine, N-methyl-3-(methylimino)-, monohydrochloride (8CI)(9CI)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
2S-Isopropenyl-4,8-dimethoxy-5-methyl-2,3-dihydrobenzo-[1,2-b:5,4-b]difuran
A natural product found in Cyperus teneriffae.
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-isopropylphenyl)acrylamide
(3R)-7-methoxy-alpha-dunnione, (-)-
A natural product found in Streptocarpus dunnii.
4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide
2-acetamido-3-(4-oxo-1H-cyclohepta[b]pyrrol-3-yl)propanoic acid
2,3-Dihydroxypropyl 2-[5-(2-oxopropyl)oxolan-2-yl]propanoate
3-[5-(2-Methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]benzonitrile
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
2-[(4-Methoxyphenyl)hydrazinylidene]-5,5-dimethylcyclohexane-1,3-dione
(E)-3-[4-(naphthalen-1-yl)phenyl]prop-2-enoic acid
2-Hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester
(2S)-5-amino-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-5-oxopentanoate
C10H16N3O6- (274.10390559999996)
5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
[(2R)-3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-carboxybut-2-enoyl]oxypropyl]-trimethylazanium
N(2)-succinyl-L-arginine
An N-acyl-L-arginine resulting from the formal condensation of the alpha-amino group of L-arginine with one of the carboxy groups of succinic acid
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid
A member of the class of phenazines that is 1,4,5,5a,6,9-hexahydrophenazine substituted at positions 1 and 6 by carboxy groups (the 1R,5aS,6R-diastereomer).
N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(dimethylamino)ethylamine
(1xi,3S)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid
N2-Succinoylarginine
D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
3-(1,1-Dimethyl-2-propenyl)-7,8-dimethoxy-2H-1-benzopyran-2-one
4-O-methylnorbelladine(1+)
An organic cation obtained by protonation of the secondary amino group of 4-O-methylnorbelladine; major species at pH 7.3.
N-(indole-3-acetyl)valine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of valine.
gamma-Glu-Gln(1-)
C10H16N3O6 (274.10390559999996)
A peptide anion that is the conjugate base of gamma-Glu-Gln, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
ESI-05
C16H18O2S (274.10274480000004)
ESI-05 is a specific exchange proteins directly activated by cAMP 2 (EPAC2) inhibitor. ESI-05 inhibits cAMP-mediated EPAC2 GEF activity with an IC50 of 0.43 μM. ESI-05 can be used for the research of diabetes, insulin secretion and neurological disorders[1][2].
PhiKan 083 hydrochloride
PhiKan 083 hydrochloride is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM[1], and a relative binding affinity (Kd) of 150 μM in Ln229 cells[3].
ThioLox
ThioLox is a competitive 15-lipoxygenase-1 (15-LOX-1) inhibitor with a Ki of 3.30 μM. ThioLox shows anti-inflammatory and neuroprotective properties[1].