Exact Mass: 192.0454
Exact Mass Matches: 192.0454
Found 375 metabolites which its exact mass value is equals to given mass value 192.0454,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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).
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
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
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].
N-Nitrosothialdine
N-Nitrosothialdine is a potential dietary carcinogen
4-Hydroxy-6-methyl-3-(1H-pyrazol-3-yl)-2H-pyran-2-one
4-Hydroxy-5-phenyl-1,3-dihydroimidazole-2-thione
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].
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
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).
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-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
1H-Benzimidazole-5-carboxylicacid,2,3-dihydro-7-methyl-2-oxo-(9CI)
5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylic Acid
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
1H-Benzimidazole,5-chloro-2-(1-methylethenyl)-(9CI)
(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol
2-Benzimidazolecarboxylicacid,1-methyl-,3-oxide(8CI)
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
2-Oxo-2-(1-oxo-2,4,6-cycloheptatrien-2-yl)acetic acid methyl ester
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].
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"}
