Exact Mass: 192.0454
Exact Mass Matches: 192.0454
Found 500 metabolites which its exact mass value is equals to given mass value 192.0454,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Scopoletin
Scopoletin is a hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. It has a role as a plant growth regulator and a plant metabolite. It is functionally related to an umbelliferone. Scopoletin is a natural product found in Ficus auriculata, Haplophyllum cappadocicum, and other organisms with data available. Scopoletin is a coumarin compound found in several plants including those in the genus Scopolia and the genus Brunfelsia, as well as chicory (Cichorium), redstem wormwood (Artemisia scoparia), stinging nettle (Urtica dioica), passion flower (Passiflora), noni (Morinda citrifolia fruit) and European black nightshade (Solanum nigrum) that is comprised of umbelliferone with a methoxy group substituent at position 6. Scopoletin is used to standardize and establish pharmacokinetic properties for products derived from the plants that produce it, such as noni extract. Although the mechanism(s) of action have not yet been established, this agent has potential antineoplastic, antidopaminergic, antioxidant, anti-inflammatory and anticholinesterase effects. Plant growth factor derived from the root of Scopolia carniolica or Scopolia japonica. See also: Arnica montana Flower (part of); Lycium barbarum fruit (part of); Viburnum opulus root (part of). Isolated from Angelica acutiloba (Dong Dang Gui). Scopoletin is found in many foods, some of which are lambsquarters, lemon, sunflower, and sherry. Scopoletin is found in anise. Scopoletin is isolated from Angelica acutiloba (Dong Dang Gui A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA72_Scopoletin_pos_20eV.txt [Raw Data] CBA72_Scopoletin_pos_40eV.txt [Raw Data] CBA72_Scopoletin_neg_30eV.txt [Raw Data] CBA72_Scopoletin_neg_50eV.txt [Raw Data] CBA72_Scopoletin_pos_50eV.txt [Raw Data] CBA72_Scopoletin_pos_10eV.txt [Raw Data] CBA72_Scopoletin_neg_40eV.txt [Raw Data] CBA72_Scopoletin_neg_10eV.txt [Raw Data] CBA72_Scopoletin_pos_30eV.txt [Raw Data] CBA72_Scopoletin_neg_20eV.txt Scopoletin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=92-61-5 (retrieved 2024-07-12) (CAS RN: 92-61-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).
Quinic acid
Quinic acid, also known as quinate, belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3, 4, and 5, as well as a carboxylic acid at position 1. Quinic acid is a sugar acid. It is also a cyclitol, or cyclic polyol. More specifically, quinic acid is a crystalline acid obtained from cinchona bark, coffee beans, tobacco leaves, carrot leaves, apples, peaches, pears, plums, vegetables, etc. Quinic acid can also be made synthetically by hydrolysis of chlorogenic acid. Quinic acid is implicated in the perceived acidity of coffee. (-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid. Quinate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Quinic acid is a natural product found in Gamblea innovans, Pterocaulon virgatum, and other organisms with data available. An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed) Quinic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=36413-60-2 (retrieved 2024-07-01) (CAS RN: 36413-60-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
Isoscopoletin
Isoscopoletin is a hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. It has a role as a plant metabolite. It is a hydroxycoumarin and an aromatic ether. It is functionally related to an esculetin. Isoscopoletin is a natural product found in Clausena dunniana, Olea capensis, and other organisms with data available. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) is an active constituent in Artemisia argyi leaves. Isoscopoletin shows substantial inhibition against cell proliferation, with IC50s of 4.0 μM and 1.6 μM for human CCRF-CEM leukaemia cells and multidrug resistant subline CEM/ADR5000, respectively[1]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) possesses inhibitory activity against HBV replication[2]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) is an active constituent in Artemisia argyi leaves. Isoscopoletin shows substantial inhibition against cell proliferation, with IC50s of 4.0 μM and 1.6 μM for human CCRF-CEM leukaemia cells and multidrug resistant subline CEM/ADR5000, respectively[1]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) possesses inhibitory activity against HBV replication[2].
Noreugenin
Noreugenin is a member of the class of chromones in which the 1,4-benzopyrone skeleton is substituted with a methyl group at position 2 and with hydroxy groups at positions 5 and 7. A natural product, it is found in Pisonia aculeata. It has a role as a plant metabolite. It is a member of chromones and a member of resorcinols. It is a conjugate acid of a noreugenin(1-). Noreugenin is a natural product found in Crossosoma bigelovii, Schumanniophyton magnificum, and other organisms with data available. Noreugenin, also known as 5,7-dihydroxy-2-methyl-4h-1-benzopyran-4-one, is a member of the class of compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. Noreugenin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Noreugenin can be found in carrot and wild carrot, which makes noreugenin a potential biomarker for the consumption of these food products. Noreugenin, 5,7-dihydroxy-2-methyl-4H-chromen-4-one, is a new chromone from Aloe arborescens. (Amaryllidaceae)[1].
Diketogulonic acid
Diketogulonic acid (DKG) is a metabolite of the degradation of vitamin C, the nonenzymatic hydrolysis-product of dehydroascorbate. Dehydroascorbate can be reduced back to ascorbate or hydrolyzed to DKG; the latter reaction is irreversible and DKG is devoid of antiscorbutic activity. The degradation pathway of vitamin C continues to produce l-erythrulose and oxalate as final products. DKG appears in human urine and represents approximately 20\\% of the vitamin C by-products (oxalate being approximately 44\\% and dehydroascorbate 20\\%). A major catabolic event in man is the cleavage of the molecule (presumably a spontaneous cleavage of DKG) between C2 and C3, with little if any decarboxylation. The oxalate formed in this way may contribute to the formation of kidney stones in susceptible individuals. However, the association between ascorbate supplementation and increased risk of kidney stone formation remains a matter of controversy. (PMID: 16698813, 17222174)
Methylenedioxycinnamic acid
(E)-3,4-(Methylenedioxy)cinnamic acid is a cinnamic acid derivative obtained from the stem bark of Brombya platynema[1]. 3,4-Methylenedioxycinnamic acid is an inhibitor of the phenylpropanoid enzyme 4-hydroxycinnamoyl-CoA ligase. 3,4-Methylenedioxycinnamic acid increases the formation of soluble phenolics in particular of vanillic acid[1].
D-galactaro-1,5-lactone
An aldarolactone formed via intramolecular cyclocondensation of galactaric acid.
D-Glucaro-1,4-lactone
D-glucaro-1,4-lactone belongs to the family of Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
monodechloroaminopyrrolnitrin
A member of the class of pyrroles carrying a 2-amino-3-chlorophenyl substituent at position 3.
D-threo-Isocitric acid
D-threo-Isocitric acid, also known as isocitrate or isocitrIC ACID, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. D-threo-Isocitric acid exists in all living species, ranging from bacteria to humans. D-threo-Isocitric acid has been detected, but not quantified in several different foods, such as citrus, fruits, common beans, green beans, and yellow wax beans. Found in fruit juices. Occurs in blackberry
2,3-Diketo-L-gulonate
2,3-Diketo-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 2,3-Diketo-L-gulonate is produced from Dehydroascorbate and then converted to L-Xylonate via the enzyme Lyases (EC 4.1.1.-). [HMDB] 2,3-Diketo-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 2,3-Diketo-L-gulonate is produced from Dehydroascorbate and then converted to L-Xylonate via the enzyme Lyases (EC 4.1.1.-). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(1R,2R)-Isocitric acid
(1R,2R)-Isocitric acid is found in citrus. (1R,2R)-Isocitric acid is found in lemon juice. Found in lemon juice
Sodium ortho-phenylphenate
D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
2-Epi-5-epi-valiolone
A member of the class of cyclitols that is valiolone in which the stererocentres at positions 2 and 5 have been inverted.
5-Epi-valiolone
A member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted.
2-epi-Valiolone
A cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from R to S).
8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is a hydroxycoumarin. 8-Hydroxy-7-methoxycoumarin is a natural product found in Ayapana triplinervis, Artemisia dracunculoides, and other organisms with data available. 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is found in green vegetables. 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is from Artemisia dracunculoides (Russian tarragon
5,7-Dihydroxy-4-methylcoumarin
5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities[1]. 5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities[1].
4-Methylesculetin
4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1]. 4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].
Alanylcysteine
Alanylcysteine is a dipeptide composed of alanine and cysteine. 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.
Cysteinyl-Alanine
Cysteinyl-Alanine is a dipeptide composed of cysteine 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.
N-Nitrosothialdine
N-Nitrosothialdine is a potential dietary carcinogen
2-(Methylthiomethyl)-3-phenyl-2-propenal
2-(Methylthiomethyl)-3-phenyl-2-propenal is a flavouring ingredient. Flavouring ingredient
2,3-diketogulonate
2,3-diketogulonate is also known as 2,3-dioxo-L-Gulonic. 2,3-diketogulonate is considered to be soluble (in water) and acidic
4-Hydroxy-6-methyl-3-(1H-pyrazol-3-yl)-2H-pyran-2-one
4-Hydroxy-5-phenyl-1,3-dihydroimidazole-2-thione
Isopropyl tartaric acid
Isopropyl tartaric acid belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Isopropyl tartaric acid is soluble (in water) and a weakly acidic compound (based on its pKa). Isopropyl tartaric acid can be found in oat, which makes isopropyl tartaric acid a potential biomarker for the consumption of this food product.
dehydroascorbate (bicyclic form)
Dehydroascorbate (bicyclic form) is a member of the class of compounds known as isosorbides. Isosorbides are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings. Dehydroascorbate (bicyclic form) is soluble (in water) and a very weakly acidic compound (based on its pKa). Dehydroascorbate (bicyclic form) can be found in a number of food items such as white lupine, grass pea, broccoli, and endive, which makes dehydroascorbate (bicyclic form) a potential biomarker for the consumption of these food products.
Citric Acid
A - Alimentary tract and metabolism > A09 - Digestives, incl. enzymes > A09A - Digestives, incl. enzymes > A09AB - Acid preparations D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents D006401 - Hematologic Agents > D000925 - Anticoagulants C26170 - Protective Agent > C275 - Antioxidant COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Citric acid is a natural preservative and food tartness enhancer. Citric acid induces apoptosis and cell cycle arrest at G2/M phase and S phase in HaCaT cells. Citric acid cause oxidative damage of the liver by means of the decrease of antioxidative enzyme activities. Citric acid causes renal toxicity in mice[1][2][3]. Citric acid is a natural preservative and food tartness enhancer. Citric acid induces apoptosis and cell cycle arrest at G2/M phase and S phase in HaCaT cells. Citric acid cause oxidative damage of the liver by means of the decrease of antioxidative enzyme activities. Citric acid causes renal toxicity in mice[1][2][3].
AI3-23192
5,7-dihydroxy-4-methyl coumarin is a yellow powder. Fluoresces blue. Absorbs ultraviolet light. (NTP, 1992) 5,7-Dihydroxy-4-methylcoumarin is a hydroxycoumarin. 5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities[1]. 5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities[1].
7,8-DHMC
7,8-dihydroxy-4-methyl-1-benzopyran-2-one is a hydroxycoumarin. 4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3]. 4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3].
AI3-18220
6,7-dihydroxy-4-methylcoumarin is a hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp. It has a role as a hyaluronan synthesis inhibitor, an antioxidant and an anti-inflammatory agent. 4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1]. 4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].
Quinic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
1,3-O-(1-Carboxy-aethyliden)-L-erythrit|1,3-O-<1-Carboxy-aethyliden>-L-erythrit
Me glycoside,Me ester-beta-D-Furanose-Riburonic acid
2-Decene-4,6-diynedioic acid, 9CI|2-Decene-4,6-diynedioic acid, 9CI-(E)-form|Decen-2trans-diin-4,6-disaeure-1,10|trans-Decen-2-diin-4,6-dicarbonsaeure-1,10
b-D-altro-2-Heptulopyranose,2,7-anhydro-
4,7-Dihydroxy-5-methylcoumarin
A hydroxycoumarin that is 2H-chromen-2-one substituted by a hydroxy group at positions 4 and 7, and a methyl group at position 5.
Scopoletin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.636 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.637 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.629 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.631 IPB_RECORD: 1582; CONFIDENCE confident structure Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).
Citrate
Citric acid is a natural preservative and food tartness enhancer. Citric acid induces apoptosis and cell cycle arrest at G2/M phase and S phase in HaCaT cells. Citric acid cause oxidative damage of the liver by means of the decrease of antioxidative enzyme activities. Citric acid causes renal toxicity in mice[1][2][3]. Citric acid is a natural preservative and food tartness enhancer. Citric acid induces apoptosis and cell cycle arrest at G2/M phase and S phase in HaCaT cells. Citric acid cause oxidative damage of the liver by means of the decrease of antioxidative enzyme activities. Citric acid causes renal toxicity in mice[1][2][3].
isocitric acid
A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. Isocitric acid is an endogenous metabolite present in Saliva and Cellular_Cytoplasm that can be used for the research of Alzheimer's Disease, Lewy Body Dementia and Anoxia[1][2][3]. Isocitric acid is an endogenous metabolite present in Saliva and Cellular_Cytoplasm that can be used for the research of Alzheimer's Disease, Lewy Body Dementia and Anoxia[1][2][3].
Citric Acid
Citric acid is a natural preservative and food tartness enhancer. Citric acid induces apoptosis and cell cycle arrest at G2/M phase and S phase in HaCaT cells. Citric acid cause oxidative damage of the liver by means of the decrease of antioxidative enzyme activities. Citric acid causes renal toxicity in mice[1][2][3]. Citric acid is a natural preservative and food tartness enhancer. Citric acid induces apoptosis and cell cycle arrest at G2/M phase and S phase in HaCaT cells. Citric acid cause oxidative damage of the liver by means of the decrease of antioxidative enzyme activities. Citric acid causes renal toxicity in mice[1][2][3].
D-(-)-Quinic acid
D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
Citric acid (Not validated, isomer of 228)
Annotation level-2
Citric acid (Not validated, isomer of 227)
Annotation level-2
4-Methyldaphnetin
4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3]. 4-Methyldaphnetin is a precursor in the synthesis of derivatives of 4-methyl coumarin. 4-Methyldaphnetin has potent, selective anti-proliferative and apoptosis-inducing effects on several cancer cell lines. 4-Methyldaphnetin possesses radical scavenging property and strongly inhibits membrane lipid peroxidation[1][2][3].
4-Methylesculetin
4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1]. 4-Methylesculetin is an orally active natural coumarin derivative, with potent anti-oxidant and anti-inflammatory activities. 4-Methylesculetin inhibits myeloperoxidase activity and reduces IL-6 level[1].
5,7-Dihydroxy-4-methylcoumarin
5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities[1]. 5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon. 5,7-Dihydroxy-4-methylcoumarin possesses antifungal and antibacterial activities[1].
6-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
2-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyrazine
2-AMINO-2-(5-FLUOROPYRIDIN-2-YL)ETHANOL HYDROCHLORIDE
5-Methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
1H-Benzimidazole-5-carboxylicacid,2,3-dihydro-1-methyl-2-oxo-(9CI)
4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
4-FORMYL-1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
1H-2-Benzopyran-3-carboxylicacid, 3,4-dihydro-1-oxo-
5-Methoxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-4-CARBOXYLIC ACID
5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
Benzoic acid, 4-amino-5-cyano-2-hydroxy-, methyl ester (9CI)
formaldehyde,1,3,5-triazine-2,4,6-triamine,hydrochloride
N,N-DIMETHYL-N-[4-(PIPERAZIN-1-YLMETHYL)PHENYL]-AMINE
2-amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
1H-Benzimidazole-5-carboxylicacid,2,3-dihydro-7-methyl-2-oxo-(9CI)
5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid
2,3-DIHYDRO-6,8-DIMETHYL-4H-1-BENZOTHIOPYRAN-4-ONE
5-(aminomethyl)-4-(trifluoromethyl)pyrimidin-2-amine
3,4-diethoxy-2,5-dihydro-1,2,5-thiadiazole 1-oxide
5-(2-FURYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-Chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
methyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate
1,7-DIMETHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-methoxy-
3-Oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
1H-Benzimidazole-1-aceticacid,2,3-dihydro-2-oxo-(9CI)
3-Trifluoromethyl-4,5,6,7-tetrahydro-isoxazolo[4,3-c]pyridine
2-AMINO-4,5,6,7-TETRAHYDRO-7-OXOBENZO[B]THIOPHENE-3-CARBONITRILE
4-Oxo-3,4,4a,8a-tetrahydroquinazoline-6-carboxylic acid
3-HYDROXY-6-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER
4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-cyclopropyl-
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-Methoxy-
1H-Benzimidazole-5-aceticacid,2,3-dihydro-2-oxo-(9CI)
1-(6-chloropyridin-3-yl)cyclobutane-1-carbonitrile
Propanoic acid,3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
4-Methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-Methoxy-
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-hydroxy-, Methyl ester
4-Hydroxy-3-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Methyl 2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-carboxylate
1,2,3,5-Tetrahydro-8-thia-5,7-diaza-cyclopenta[a]indene-4-one
5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
1H-Benzimidazole,5-chloro-2-(1-methylethenyl)-(9CI)
(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
2-Benzimidazolecarboxylicacid,1-methyl-,3-oxide(8CI)
(2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid
Scopoletol
Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).
Isoscopoletin
Isoscopoletin is a hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. It has a role as a plant metabolite. It is a hydroxycoumarin and an aromatic ether. It is functionally related to an esculetin. Isoscopoletin is a natural product found in Clausena dunniana, Olea capensis, and other organisms with data available. A hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. Isoscopoletin, also known as 6-hydroxy-7-methoxycoumarin or 7-methoxyesculetin, is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Isoscopoletin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isoscopoletin can be found in coriander and eggplant, which makes isoscopoletin a potential biomarker for the consumption of these food products. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) is an active constituent in Artemisia argyi leaves. Isoscopoletin shows substantial inhibition against cell proliferation, with IC50s of 4.0 μM and 1.6 μM for human CCRF-CEM leukaemia cells and multidrug resistant subline CEM/ADR5000, respectively[1]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) possesses inhibitory activity against HBV replication[2]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) is an active constituent in Artemisia argyi leaves. Isoscopoletin shows substantial inhibition against cell proliferation, with IC50s of 4.0 μM and 1.6 μM for human CCRF-CEM leukaemia cells and multidrug resistant subline CEM/ADR5000, respectively[1]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) possesses inhibitory activity against HBV replication[2].
Dowicide A
Agricultural fungicide, disinfectant, food preservative, mould inhibitor for apples
(+)-Quinic acid
The (+)-enantiomer of quinic acid.
2-[[(2R)-2-azaniumyl-3-methylsulfanylpropanoyl]amino]acetate
3-Amino-4,7-dihydroxycoumarin(1-)
An organic anion that is the conjugate base of 3-amino-4,7-dihydroxycoumarin, obtained by selective deprotonation of the 7-hydroxy group
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;hydrate
(E)-1-Chlorodimethylsilyl-2-trimethylsilylethylene
2-Oxo-2-(1-oxo-2,4,6-cycloheptatrien-2-yl)acetic acid methyl ester
Quinic_acid
(-)-quinic acid is the (-)-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid. Quinate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Quinic acid is a natural product found in Gamblea innovans, Pterocaulon virgatum, and other organisms with data available. An acid which is found in cinchona bark and elsewhere in plants. (From Stedman, 26th ed) D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee. D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.
Noreugenin
Noreugenin is a member of the class of chromones in which the 1,4-benzopyrone skeleton is substituted with a methyl group at position 2 and with hydroxy groups at positions 5 and 7. A natural product, it is found in Pisonia aculeata. It has a role as a plant metabolite. It is a member of chromones and a member of resorcinols. It is a conjugate acid of a noreugenin(1-). Noreugenin is a natural product found in Crossosoma bigelovii, Schumanniophyton magnificum, and other organisms with data available. A member of the class of chromones in which the 1,4-benzopyrone skeleton is substituted with a methyl group at position 2 and with hydroxy groups at positions 5 and 7. A natural product, it is found in Pisonia aculeata. Noreugenin, 5,7-dihydroxy-2-methyl-4H-chromen-4-one, is a new chromone from Aloe arborescens. (Amaryllidaceae)[1].
Sodium [1,1-biphenyl]-2-olate
D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
3,4-Methylenedioxycinnamic acid
(E)-3,4-(Methylenedioxy)cinnamic acid is a cinnamic acid derivative obtained from the stem bark of Brombya platynema[1]. 3,4-Methylenedioxycinnamic acid is an inhibitor of the phenylpropanoid enzyme 4-hydroxycinnamoyl-CoA ligase. 3,4-Methylenedioxycinnamic acid increases the formation of soluble phenolics in particular of vanillic acid[1].
5-hydroxy-4-(hydroxymethyl)-2-methyl-1,3-dioxane-2-carboxylic acid
7-hydroxy-5-methoxy-chromone
{"Ingredient_id": "HBIN013245","Ingredient_name": "7-hydroxy-5-methoxy-chromone","Alias": "NA","Ingredient_formula": "C10H8O4","Ingredient_Smile": "COC1=CC(=CC2=C1C(=O)C=CO2)O","Ingredient_weight": "192.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40202","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129848159","DrugBank_id": "NA"}
β-methylaesculetin
{"Ingredient_id": "HBIN018191","Ingredient_name": "\u03b2-methylaesculetin","Alias": "NA","Ingredient_formula": "C10H8O4","Ingredient_Smile": "COC1=C(C=C2C(=C1)C=CC(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14115","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
