Exact Mass: 192.0553178
Exact Mass Matches: 192.0553178
Found 500 metabolites which its exact mass value is equals to given mass value 192.0553178,
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].
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].
monodechloroaminopyrrolnitrin
C10H9ClN2 (192.04542239999998)
A member of the class of pyrroles carrying a 2-amino-3-chlorophenyl substituent at position 3.
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.
Serylserine
C6H12N2O5 (192.07461819999997)
Serylserine is a dipeptide composed of two serine 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.
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
C6H12N2OS2 (192.03910219999997)
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
4-Hydroxy-6-methyl-3-(1H-pyrazol-3-yl)-2H-pyran-2-one
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.
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
Pisonin F
A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 8. It has been isolated from Pisonia aculeata.
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.
1,3-Dimethylpteridine-2,4-dione
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3104
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).
quinate
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.
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
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].
Ser-ser
C6H12N2O5 (192.07461819999997)
A dipeptide formed from two L-serine residues.
6-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
6-Isopropyl-benzothiazol-2-ylamine
C10H12N2S (192.07211519999998)
4-(4-chlorophenyl)-5-methyl-1H-imidazole
C10H9ClN2 (192.04542239999998)
1-[4-(Chloromethyl)phenyl]-1H-pyrazole
C10H9ClN2 (192.04542239999998)
7-Fluoro-2-methoxy-8-methylquinoxaline
C10H9FN2O (192.06988759999996)
3-tert-butylsulfanylpyridine-2-carbonitrile
C10H12N2S (192.07211519999998)
5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
Urea, (2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)- (9CI)
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
C10H12N2S (192.07211519999998)
2H-Benzimidazole-2-thione,1,3-dihydro-1-(1-methylethyl)-(9CI)
C10H12N2S (192.07211519999998)
(4-chloronaphthalen-1-yl)hydrazine,hydrochloride
C10H9ClN2 (192.04542239999998)
2-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyrazine
2-AMINO-2-(5-FLUOROPYRIDIN-2-YL)ETHANOL HYDROCHLORIDE
C7H10ClFN2O (192.04656519999997)
2-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)BENZENETHIOL
C10H12N2S (192.07211519999998)
1H-Benzimidazole-1-carboxylicacid,2,3-dihydro-2-oxo-,hydrazide(9CI)
5-Methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
1H-Benzimidazole-5-carboxylicacid,2,3-dihydro-1-methyl-2-oxo-(9CI)
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-amino-3-methyl- (7CI)
2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
C10H12N2S (192.07211519999998)
4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
4-FORMYL-1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
2-(2-Fluorophenyl)-4-oxazolemethanamine
C10H9FN2O (192.06988759999996)
[1-(4-fluorophenyl)pyrazol-4-yl]methanol
C10H9FN2O (192.06988759999996)
4-(CHLOROMETHYL)-1-PHENYL-1H-PYRAZOLE
C10H9ClN2 (192.04542239999998)
3-(BENZO[D]THIAZOL-2-YL)PROPAN-1-AMINE
C10H12N2S (192.07211519999998)
1H-2-Benzopyran-3-carboxylicacid, 3,4-dihydro-1-oxo-
4-(4-Chlorophenyl)-3-methyl-1H-pyrazole
C10H9ClN2 (192.04542239999998)
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
(4,5-DICHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)METHYL2-CHLORO-6-FLUOROBENZOATE
C10H12N2S (192.07211519999998)
5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
Benzoic acid, 4-amino-5-cyano-2-hydroxy-, methyl ester (9CI)
N-(tert-butylcarbamoyl)-2-chloroacetamide
C7H13ClN2O2 (192.06655080000002)
formaldehyde,1,3,5-triazine-2,4,6-triamine,hydrochloride
1H-Benzimidazole-2-propanethiol(9CI)
C10H12N2S (192.07211519999998)
5-chloro-3-methyl-1-phenylpyrazole
C10H9ClN2 (192.04542239999998)
5-(4-Fluoro-phenyl)-1-methyl-1,2-dihydropyrazol-3-one
C10H9FN2O (192.06988759999996)
7-Amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
N,N-DIMETHYL-N-[4-(PIPERAZIN-1-YLMETHYL)PHENYL]-AMINE
1-(4-(Chloromethyl)phenyl)-1H-imidazole
C10H9ClN2 (192.04542239999998)
1H-Benzimidazole-5-carboxylicacid,2,3-dihydro-7-methyl-2-oxo-(9CI)
4-pyridin-1-ium-1-ylpyridine,chloride
C10H9ClN2 (192.04542239999998)
1,5-dimethyl-2-methylsulfanylbenzimidazole
C10H12N2S (192.07211519999998)
2,5-Dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide
3-cyano-4-dimethylamino-2-fluorobenzaldehyde
C10H9FN2O (192.06988759999996)
4,9-dihydrodipyrazolo[1,3-b:1,3-e]pyrazine-4,9-diol
Ethyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid
2-(CARBOXYMETHYLTHIO)ETHYLTRIMETHYLSILANE
C7H16O2SSi (192.06402359999998)
C-[2-(4-FLUORO-PHENYL)-OXAZOL-4-YL]-METHYLAMINE
C10H9FN2O (192.06988759999996)
(3-(2-FLUOROPHENYL)ISOXAZOL-5-YL)METHANAMINE
C10H9FN2O (192.06988759999996)
2,3-DIHYDRO-6,8-DIMETHYL-4H-1-BENZOTHIOPYRAN-4-ONE
5-(aminomethyl)-4-(trifluoromethyl)pyrimidin-2-amine
2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
C10H9FN2O (192.06988759999996)
3,4-diethoxy-2,5-dihydro-1,2,5-thiadiazole 1-oxide
2-(3-FLUORO-PHENYL)-OXAZOL-4-YL-METHYLAMINE
C10H9FN2O (192.06988759999996)
5-(2-FURYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-Chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
C10H9ClN2 (192.04542239999998)
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
2-(Chloromethyl)-4-methylquinazoline
C10H9ClN2 (192.04542239999998)
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)
BENZYL-(4,5-DIHYDRO-THIAZOL-2-YL)-AMINE
C10H12N2S (192.07211519999998)
3-Trifluoromethyl-4,5,6,7-tetrahydro-isoxazolo[4,3-c]pyridine
5-chloro-1-methyl-2-phenylimidazole
C10H9ClN2 (192.04542239999998)
4-Oxo-3,4,4a,8a-tetrahydroquinazoline-6-carboxylic acid
2-Fluoro-4-methoxyphenylhydrazine hydrochloride
C7H10ClFN2O (192.04656519999997)
3-HYDROXY-6-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER
2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLIC ACID METHYL ESTER
2-(1H-INDOL-3-YLSULFANYL)-ETHYLAMINE
C10H12N2S (192.07211519999998)
4-METHYL-5-PYRIDIN-3-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
2-ISOPROPYLBENZO[D]THIAZOL-6-AMINE
C10H12N2S (192.07211519999998)
1H-Benzimidazole,2-(chloromethyl)-1-ethenyl-(9CI)
C10H9ClN2 (192.04542239999998)
1H-Benzimidazole-2-carboxaldehyde,1-ethyl-5-fluoro-(9CI)
C10H9FN2O (192.06988759999996)
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-cyclopropyl-
C10H9ClN2 (192.04542239999998)
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-Methoxy-
2-Fluoro-5-methoxyphenylhydrazine hydrochloride
C7H10ClFN2O (192.04656519999997)
1H-Benzimidazole-5-aceticacid,2,3-dihydro-2-oxo-(9CI)
1-(6-chloropyridin-3-yl)cyclobutane-1-carbonitrile
C10H9ClN2 (192.04542239999998)
1H-Benzimidazole,1-methyl-2-[(methylthio)methyl]-(9CI)
C10H12N2S (192.07211519999998)
Propanoic acid,3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
1H-Benzimidazole-2-methanethiol, 5,6-dimethyl-
C10H12N2S (192.07211519999998)
7-Chloro-2,4-dimethyl-[1,8]naphthyridine
C10H9ClN2 (192.04542239999998)
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
6-Amino-2-azaspiro[3.3]heptane-6-carboxylic acid HCl
C7H13ClN2O2 (192.06655080000002)
5-Chloro-2-cyclopropyl-1H-benzimidazole
C10H9ClN2 (192.04542239999998)
1H-Benzimidazole,2-[(1-methylethyl)thio]-(9CI)
C10H12N2S (192.07211519999998)
Methyl 2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-carboxylate
4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide
4-AMINO-6-CHLORO-2-METHYLQUINOLINE
C10H9ClN2 (192.04542239999998)
4-AMINO-8-CHLORO-2-METHYLQUINOLINE
C10H9ClN2 (192.04542239999998)
1H-Benzimidazole,2-(ethylthio)-5-methyl-(9CI)
C10H12N2S (192.07211519999998)
1-(4-Chlorophenyl)-3-methyl-1H-pyrazole
C10H9ClN2 (192.04542239999998)
5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
1H-Benzimidazole,5-chloro-2-(1-methylethenyl)-(9CI)
C10H9ClN2 (192.04542239999998)
2-(Chloromethyl)-3-methylquinoxaline
C10H9ClN2 (192.04542239999998)
4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)phenol,hydrochloride
(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol
(2-(2-FLUOROPHENYL)-1H-IMIDAZOL-5-YL)METHANOL
C10H9FN2O (192.06988759999996)
2-Benzothiazolamine,N,4,6-trimethyl-(9CI)
C10H12N2S (192.07211519999998)
2-Benzothiazolamine,N,4,7-trimethyl-(9CI)
C10H12N2S (192.07211519999998)
2-Benzothiazolamine,N,4,5-trimethyl-(9CI)
C10H12N2S (192.07211519999998)
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
2-Benzimidazolecarboxylicacid,1-methyl-,3-oxide(8CI)
4-(2-Chlorophenyl)-3-methyl-1H-pyrazole
C10H9ClN2 (192.04542239999998)
1H-Benzimidazole-2-ethanethiol,6-methyl-
C10H12N2S (192.07211519999998)
2-Benzothiazolamine,N,5,6-trimethyl-(9CI)
C10H12N2S (192.07211519999998)
1H-Benzimidazole,1-(2-chloro-2-propenyl)-(9CI)
C10H9ClN2 (192.04542239999998)
5-Fluoro-2-(Propan-2-Ylideneaminooxy)Benzonitrile
C10H9FN2O (192.06988759999996)
(2R,3R)-2,3-Dihydroxy-4-oxo-4-[(propan-2-yl)oxy]butanoic acid
Bodipy
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
5-Methyl-2-phenylimino-1,3-thiazolidine
C10H12N2S (192.07211519999998)
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
C10H12N2S (192.07211519999998)
(2S,3S,4R,5R)-6-(Hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
C6H12N2O5 (192.07461819999997)
(2E,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinone
C6H12N2O5 (192.07461819999997)
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
N-hydroxydihomomethioninate
Conjugate base of N-hydroxydihomomethionine.
1H-Pyrrolo[2,1-f]purine-2,4(3H,6H)-dione, 7,8-dihydro-
(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].
phenylacetylglycine(1-)
A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of phenylacetylglycine. The major species of phenylacetylglycine at pH 7.3.
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"}
(2e)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid
5-hydroxy-1-[2-(oxiran-2-yl)ethynyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
3,5,13-trioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-12-one
(5e)-5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]furan-2-one
(2s)-2-{[(2s)-2-amino-1,3-dihydroxypropylidene]amino}-3-hydroxypropanoic acid
C6H12N2O5 (192.07461819999997)
