Exact Mass: 208.0524268
Exact Mass Matches: 208.0524268
Found 500 metabolites which its exact mass value is equals to given mass value 208.0524268,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fraxetin
Fraxetin is a hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. It has a role as an Arabidopsis thaliana metabolite, an antimicrobial agent, an apoptosis inhibitor, an apoptosis inducer, an antioxidant, an anti-inflammatory agent, a hepatoprotective agent, an antibacterial agent and a hypoglycemic agent. It is a hydroxycoumarin and an aromatic ether. Fraxetin is a natural product found in Santolina pinnata, Campanula dolomitica, and other organisms with data available. A hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.550 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.543 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.542 Fraxetin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=574-84-5 (retrieved 2024-06-28) (CAS RN: 574-84-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Fraxetin is isolated from Fraxinus rhynchophylla Hance. Fraxetin has antitumor, anti-oxidation effects and anti-inflammory effects. Fraxetin induces apoptosis[1]. Fraxetin is isolated from Fraxinus rhynchophylla Hance. Fraxetin has antitumor, anti-oxidation effects and anti-inflammory effects. Fraxetin induces apoptosis[1].
Sinapaldehyde
(E)-sinapaldehyde is a member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as an antifungal agent and a plant metabolite. It is a member of cinnamaldehydes, a dimethoxybenzene and a member of phenols. It is functionally related to an (E)-cinnamaldehyde. Sinapaldehyde is a natural product found in Stereospermum colais, Aralia bipinnata, and other organisms with data available. A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Sinapaldehyde, also known as (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal or (E)-sinapoyl aldehyde, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Sinapaldehyde is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Sinapaldehyde can be synthesized from cinnamaldehyde. Sinapaldehyde can also be synthesized into 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde. Sinapaldehyde can be found in a number of food items such as angelica, saskatoon berry, rubus (blackberry, raspberry), and lemon verbena, which makes sinapaldehyde a potential biomarker for the consumption of these food products. In Arabidopsis thaliana, this compound is part of the lignin biosynthesis pathway. The enzyme dihydroflavonol 4-reductase uses sinapaldehyde and NADPH to produce sinapyl alcohol and NADP+ . Annotation level-2 Sinapaldehyde exhibits moderate antibacterial against Methicillin resistant S. aureus (MRSA) and E. coli with MIC values of 128 and 128 μg/mL[1]. Sinapaldehyde exhibits moderate antibacterial against Methicillin resistant S. aureus (MRSA) and E. coli with MIC values of 128 and 128 μg/mL[1].
(R)-2-Benzylsuccinate
(R)-2-Benzylsuccinate is an aromatic compounds that is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. (R)-2-Benzylsuccinate can be generated from toluene via the enzyme benzylsuccinate synthase (EC 4.1.99.11). It is then converted to Benzylsuccinyl-CoA via the enzyme benzylsuccinate CoA-transferase BbsE subunit (EC 2.8.3.15). [HMDB] (R)-2-Benzylsuccinate is an aromatic compounds that is an intermediate in Benzoate degradation via CoA ligation. Biodegradation of aromatic compounds is a common process in anoxic environments. The many natural and synthetic aromatic compounds found in the environment are usually degraded by anaerobic microorganisms into only few central intermediates, prior to ring cleavage. Benzoyl-CoA is the most important of these intermediates since a large number of compounds, including chloro-, nitro-, and aminobenzoates, aromatic hydrocarbons, and phenolic compounds, are initially converted to benzoyl-CoA prior to ring reduction and cleavage. (R)-2-Benzylsuccinate can be generated from toluene via the enzyme benzylsuccinate synthase (EC 4.1.99.11). It is then converted to Benzylsuccinyl-CoA via the enzyme benzylsuccinate CoA-transferase BbsE subunit (EC 2.8.3.15). KEIO_ID B005
9,10-Phenanthrenequinone
CONFIDENCE standard compound; INTERNAL_ID 19 D009676 - Noxae > D009153 - Mutagens
Dihydrolipoate
Dihydrolipoic acid is an organic compound that is the reduced form of lipoic acid. This carboxylic acid features a pair of thiol groups. It is optically active but only the R-enantiomer is biochemically significant. The lipoic acid/dihydrolipoic acid pair participate in a variety of biochemical transformations.( from Wiki). Inside the cell, alpha lipoic acid is readily reduced or broken down to dihydrolipoic acid. Dihydrolipoic acid is even more potent than alpha lipoic acid, neutralizing free radicals, preventing them from causing harm. It directly destroys damaging superoxide radicals, hydroperoxy radicals and hydroxyl radicals. It has been shown in vitro that dihydrolipoate (DL-6,8-dithioloctanoic acid) has antioxidant activity against microsomal lipid peroxidation.Dihydrolipoate is tested for its neuroprotective activity using models of hypoxic and excitotoxic neuronal damage in vitro and rodent models of cerebral ischemia in vivo. Dihydrolipoate, similarly to dimethylthiourea, is able to protect neurons against ischemic damage by diminishing the accumulation of reactive oxygen species within the cerebral tissue.(PMID: 1345759). Dihydrolipoic acid is an organic compound that is the reduced form of lipoic acid. This carboxylic acid features a pair of thiol groups. It is optically active but only the R-enantiomer is biochemically significant. The lipoic acid/dihydrolipoic acid pair participate in a variety of biochemical transformations.( from Wiki) D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 162
Anthraquinone
Anthraquinone is used as a precursor for dye formation. Anthraquinone is used as a precursor for dye formation.
6-Methoxymellein
Isolated from Aspergillus caespitosus, Aspergillus variecolor and Sporormia bipartis. Reaches fungitoxic levels in stored infected carrot. Shows broad antimicrobial action. 6-Methoxymellein is found in wild carrot, root vegetables, and carrot. 6-Methoxymellein is found in carrot. 6-Methoxymellein is isolated from Aspergillus caespitosus, Aspergillus variecolor and Sporormia bipartis. Reaches fungitoxic levels in stored infected carrot. Shows broad antimicrobial action.
Caffeic acid ethyl ester
Caffeic acid ethyl ester, also known as (E)-ethyl 3,4-dihydroxycinnamate or (E)-ethyl caffeate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Caffeic acid ethyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Caffeic acid ethyl ester can be found in eggplant and vinegar, which makes caffeic acid ethyl ester a potential biomarker for the consumption of these food products. Ethyl caffeate is an ester of an hydroxycinnamic acid, a naturally occurring organic compound . Ethyl trans-caffeate is an ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol. It has a role as an anti-inflammatory agent and an antineoplastic agent. It is an alkyl caffeate ester and an ethyl ester. It is functionally related to a trans-caffeic acid. Ethyl caffeate is a natural product found in Cichorium endivia, Cichorium pumilum, and other organisms with data available. Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1]. Ethyl Caffeate is a natural phenolic compound isolated from Bidens pilosa. Ethyl caffeate suppresses NF-κB activation and its downstream inflammatory mediators, inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), and prostaglandin E2 (PGE2) in vitro or in mouse skin[1].
Anthriscinol
Anthriscinol is found in herbs and spices. Anthriscinol is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Anthriscinol is found in herbs and spices. Anthriscinol is a member of benzodioxoles.
3-(3,4-Dimethoxyphenyl)-2-propenoic acid
3,4-dimethoxycinnamic acid is a methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3 and 4 respectively. It is functionally related to a trans-cinnamic acid. 3,4-Dimethoxycinnamic acid is a natural product found in Sibiraea angustata, Verbesina gigantea, and other organisms with data available. 3-(3,4-Dimethoxyphenyl)-2-propenoic acid is found in beverages. 3-(3,4-Dimethoxyphenyl)-2-propenoic acid 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) (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide
(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide is found in green vegetables. (+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide is a constituent of Ferula assa-foetida (asafoetida) Constituent of Ferula assa-foetida (asafoetida). (+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide is found in herbs and spices and green vegetables.
3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol
3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol is found in herbs and spices. 3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). 3-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol is found in herbs and spices.
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone (CAS: 21618-92-8) is a cocoa metabolite from gut microflora. It is found in urine. 5-(3,4-Dihydroxyphenyl)-gamma-valerolactone is a flavonoid metabolite.
Furapiole
Furapiole is found in herbs and spices. Furapiole is a constituent of Anethum sowa (Indian dill) Constituent of Anethum sowa (Indian dill). Furapiole is found in herbs and spices.
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone is found in herbs and spices. 1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone is a constituent of Anethum sowa (Indian dill). Constituent of Anethum sowa (Indian dill). 1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone is found in herbs and spices.
Methyl 5-(1-Propynyl)-2-thiophenepropanoate
Methyl 5-(1-Propynyl)-2-thiophenepropanoate is found in herbs and spices. Methyl 5-(1-Propynyl)-2-thiophenepropanoate is isolated from Artemisia absinthium (wormwood) roo Isolated from Artemisia absinthium (wormwood) root. Methyl 5-(1-Propynyl)-2-thiophenepropanoate is found in herbs and spices.
Cysteinyl-Serine
C6H12N2O4S (208.05177519999998)
Cysteinyl-Serine is a dipeptide composed of cysteine and serine. 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.
Serylcysteine
C6H12N2O4S (208.05177519999998)
Serylcysteine is a dipeptide composed of serine 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.
3-Methyl-5-pentyl-1,2,4-trithiolane
3-Methyl-5-pentyl-1,2,4-trithiolane is found in animal foods. 3-Methyl-5-pentyl-1,2,4-trithiolane is a component of fried food model systems. 3-Methyl-5-pentyl-1,2,4-trithiolane is a constituent of various cooked meat aromas. Component of fried food model systems. Constituent of various cooked meat aromas. 3-Methyl-5-pentyl-1,2,4-trithiolane is found in animal foods.
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Aminofurantoin
Aminofurantoin is a metabolite of nitrofurantoin. Nitrofurantoin is an antibiotic which is marketed under the following brand names; Urifast 100mg (The BID Nitrofurantoin, Brand of Cipla Uro1)Niftran, Furadantin, Furabid, Macrobid, Macrodantin, Nitrofur Mac, Nitro Macro, Nifty-SR, Martifur-MR, Martifur-100 (in India), Urantoin, and Uvamin (in Middle East). It is usually used in treating urinary tract infection. It is often used against E. coli. (Wikipedia)
5-(3',4'-Dihydroxyphenyl)-γ-valerolactone
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Lanthionine
C6H12N2O4S (208.05177519999998)
Lanthionine is a nonproteinogenic amino acid with the chemical formula (HOOC-CH(NH2)-CH2-S-CH2-CH(NH2)-COOH). It is typically formed by a cysteine residue and a dehydrated serine residue. Despite its name, lanthionine does not contain the element lanthanum. Lanthionine belongs to the class of organic compounds known as L-cysteine-S-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated. Lanthionine is a uremic toxin (PMID: 30087103). In 1941, lanthionine was first isolated by treating wool with sodium carbonate. It was found to be a sulfur-containing amino acid; accordingly it was given the name lanthionine [wool (Latin: Lana), sulfur (Greek: theîon)].[1] Lanthionine was first synthesized by alkylation of cysteine with β-chloroalanine.[2] Lanthionines are found widely in nature. They have been isolated from human hair, lactalbumin, and feathers. Lanthionines have also been found in bacterial cell walls and are the components of a group of gene-encoded peptide antibiotics called lantibiotics, which includes nisin (a food preservative), subtilin, epidermin (effective against Staphylococcus and Streptococcus), and ancovenin (an enzyme inhibitor).[3][4] L-Lanthionine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=922-55-4 (retrieved 2024-06-29) (CAS RN: 922-55-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one
C10H12N2OS (208.06703019999998)
DL-Lanthionine
C6H12N2O4S (208.05177519999998)
Methyl ferulate
Methyl ferulate, also known as methyl ferulic acid, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Methyl ferulate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Methyl ferulate can be found in garden onion, which makes methyl ferulate a potential biomarker for the consumption of this food product. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
4-O-Methylglucuronic acid
4-o-methylglucuronic acid belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. 4-o-methylglucuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 4-o-methylglucuronic acid can be found in cashew nut and european plum, which makes 4-o-methylglucuronic acid a potential biomarker for the consumption of these food products.
Methyl
Trans-methylferulate is a cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a cinnamate ester, a methyl ester and a member of guaiacols. It is functionally related to a ferulic acid. Methyl ferulate is a natural product found in Iris milesii, Coreopsis grandiflora, and other organisms with data available. See also: Black Cohosh (part of). A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
Methyl ferulate
Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
Methylferulic acid
3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
8-Hydroxy-6-methoxy-3-methyl-3,4-dihydroisocoumarin
2,3-Dihydro-7-methoxy-2-methyl-5,6-methylenedioxybenzofuran
3-(4-Fluorophenyl)-5-(Methylthio)Pyrazole
C10H9FN2S (208.04704459999996)
3-Methyl-6-hydroxy-8-methoxy-3,4-dihydroisocoumarin
7-Me ether-2,3-Dihydro-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one
3,4-Dihydro-3,4,8-trihydroxy-3-methyl-1(2H)-naphthalenone
(E)-ferulatrisulfide|1-sec-butyl -2-[(E)-3-(methylthio) prop-1-enyl]disulfane|1-sec-butyl-2-[(E)-3-(methylthio)prop-1-enyl]disulphane
O2-methyl-D-galacturonic acid|O2-Methyl-D-galacturonsaeure
(1E)-3-methyl-6-(1-methyl-2-methoxycarbonylvinyl)-alpha-pyrone
3-allyl-3a,5,6,6a-tetrahydro-2,3a-dihydroxypentalene-1,4-dione|xialenon E
4-O-Methyl-D-glucuronsaeure|O3-methyl-D-glucuronic acid|O3-Methyl-D-glucuronsaeure
3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one
methyl (E)-3-(4-hydroxy-2-methoxyphenyl)propenoate|Methylisoferulat
1-(2,4-dihydroxy-6-methoxy-phenyl)-but-2(E)-en-1-one
(3S,4R)-4,8-dihydroxy-3-methoxy-3,4-dihydro-1(2H)-naphthalenone
Pisonin C
A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and a methoxy groups at position 6. It has been isolated from Pisonia aculeata.
Methyl kakuol
1-(6-Methoxy-2H-1,3-benzodioxol-5-yl)propan-1-one is a natural product found in Piper marginatum with data available.
nigerapyrone E
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 3-oxobut-1-en-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester
3-Ethyl-6-methoxy-7-hydroxyisobenzofuran-1(3H)-one
Lanthionine
C6H12N2O4S (208.05177519999998)
An alanine derivative in which two alanine residues are linked on their beta-carbons by a thioether linkage.
(Z,Z)-3-[5-(1-Propenyl)2-thienyl]-2-propenoic acid|cis,cis-5-(Propen-(1)-yl)-2-(2-methoxycarbonylvinyl-(1))-thiophen|cis,cis-5--2-<2-methoxycarbonylvinyl-(1)>-thiophen
3-methyl-5-methoxy-8-hydroxy-3,4-dihydroisocoumarin
3-allyl-3a,5,6,6a-tetrahydro-2,6a-dihydroxypentalene-1,4-dione|xialenon D
Anthraquinone
Anthraquinone appears as yellow crystals or powder. (NTP, 1992) 9,10-anthraquinone is an anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. Anthraquinone is a natural product found in Annona muricata, Casearia membranacea, and other organisms with data available. Anthraquinone is a polycyclic aromatic hydrocarbon derived from anthracene or phthalic anhydride. Anthraquinone is used in the manufacture of dyes, in the textile and pulp industries, and as a bird repellant. Compounds based on ANTHRACENES which contain two KETONES in any position. Substitutions can be in any position except on the ketone groups. Anthraquinone is used as a precursor for dye formation. Anthraquinone is used as a precursor for dye formation.
AI3-23713
Trans-methylferulate is a cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. It has a role as a plant metabolite. It is a cinnamate ester, a methyl ester and a member of guaiacols. It is functionally related to a ferulic acid. Methyl ferulate is a natural product found in Iris milesii, Coreopsis grandiflora, and other organisms with data available. See also: Black Cohosh (part of). Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2]. Ferulic acid methyl ester (Methyl ferulate) is a derivative of ferulic acid, isolated from Stemona tuberosa, with anti-inflammatory and antioxidant properties[1][2]. Ferulic acid methyl ester is a cell membrane and brain permeable compound, shows free radical scavenging ability, used in the research of neurodegenerative disorders[1]. Ferulic acid methyl ester inhibits COX-2 expression, blocks p-p38 and p-JNK in primary bone marrow derived-macrophages[2].
3,4-Dimethoxycinnamic acid
Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
3,5-Dimethoxycinnamic acid
Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST.
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Dimethoxycinnamic acid
3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
C11H12O4_1H-2-Benzopyran-1-one, 3,4-dihydro-6-hydroxy-8-methoxy-3-methyl
2-Benzylsuccinic acid
A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.
Dimethylcaffeic acid
(E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. (E)-3,4-Dimethoxycinnamic acid is the less active isomer of 3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1]. 3,4-Dimethoxycinnamic acid (O-Methylferulic acid) is a monomer extracted and purified from Securidaca inappendiculata Hassk. 3,4-Dimethoxycinnamic acid exerts anti-apoptotic effects on L-02 cells via the ROS-mediated signaling pathway[1]. Anti-apoptotic effects[1].
7,8-dihydroxy-6-methoxychromen-2-one [IIN-based: Match]
7,8-dihydroxy-6-methoxychromen-2-one [IIN-based on: CCMSLIB00000845657]
2,5-Dimethoxycinnamic acid
Cys-ser
C6H12N2O4S (208.05177519999998)
A dipeptide composed of L-cysteine and L-serine joined by a peptide linkage.
(+)-1-Methylpropyl 3-(methylthio)-2-propenyl disulfide
1-(2-Methoxy-3,4-methylenedioxyphenyl)-1-propanone
2-[tert-butyl(dimethyl)silyl]oxyacetyl chloride
C8H17ClO2Si (208.06862920000003)
5-(2-CHLOROPHENYL)-2,4-DIHYDRO-2-METHYL-3H-PYRAZOL-3-ONE
C10H9ClN2O (208.04033739999997)
3-Amino-5-fluoro-1H-indole-2-carboxylic acid methyl ester
C10H9FN2O2 (208.06480259999998)
3-(5-FLUORO-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
C10H9FN2O2 (208.06480259999998)
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
5-(4-Fluorobenzyl)-thiazol-2-ylamine
C10H9FN2S (208.04704459999996)
2-Benzyl-5-(chloromethyl)-1,3,4-oxadiazole
C10H9ClN2O (208.04033739999997)
6-methoxy-2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine
C10H12N2OS (208.06703019999998)
N-(3-CHLORO-2-METHYL-PHENYL)-2-CYANO-ACETAMIDE
C10H9ClN2O (208.04033739999997)
(2-CHLORO-PYRIMIDIN-4-YL)-ETHYL-AMINE
C10H9ClN2O (208.04033739999997)
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanamine
C10H9ClN2O (208.04033739999997)
[(3-Chlorophenyl)ethynyl](trimethyl)silane
C11H13ClSi (208.04750080000002)
3-AMINO-N-BENZYL-3-THIOXOPROPANAMIDE
C10H12N2OS (208.06703019999998)
2-(1-chloroethyl)-5-phenyl-1,3,4-oxadiazole
C10H9ClN2O (208.04033739999997)
5-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde
C10H6F2N2O (208.04481699999997)
C-[2-(4-CHLORO-PHENYL)-OXAZOL-4-YL]-METHYLAMINE
C10H9ClN2O (208.04033739999997)
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, ethyl ester, (2S)-
1-BENZYL-2-CHLOROMETHYL-1H-BENZOIMIDAZOLE HYDROCHLORIDE
C10H9FN2S (208.04704459999996)
5-(1-Chloroethyl)-3-phenyl-1,2,4-oxadiazole
C10H9ClN2O (208.04033739999997)
3-(2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPIONITRILE
3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
C10H9ClN2O (208.04033739999997)
2-CHLOROMETHYL-8-METHYL-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
C10H9ClN2O (208.04033739999997)
2-(Thiomorpholin-4-yl)isonicotinaldehyde
C10H12N2OS (208.06703019999998)
(2-FLUORO-3-METHYL-6-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE
2-(3-OXO-2H-PYRIDO[3,2-B][1,4]OXAZIN-4(3H)-YL)ACETIC ACID
(4-((CYCLOPROPYLMETHYL)THIO)PHENYL)BORONIC ACID
C10H13BO2S (208.07292680000003)
(5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-4-YL)-HYDRAZINE
1-(3-Chlorophenyl)-3-methyl-5-pyrazolone
C10H9ClN2O (208.04033739999997)
1-(4-Chlorophenyl)-3-Methyl-2-Pyrazolin-5-One
C10H9ClN2O (208.04033739999997)
5-(5-ISOXAZOLYL)-4-METHOXYCARBONYL-3-METHYLISOXAZOLE
6-Tert-Butyl-3H-Thieno[2,3-D]Pyrimidin-4-One
C10H12N2OS (208.06703019999998)
2-(chloromethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
C10H9ClN2O (208.04033739999997)
4(1H)-Pteridinone,2,3-dihydro-6,7-dimethyl-2-thioxo-
2-(2,1,3-Benzoxadiazol-5-yloxy)-N-hydroxyethanimidamide
[2-(4-Chlorophenyl)-1H-imidazol-4-yl]methanol
C10H9ClN2O (208.04033739999997)
1-(4-acetylphenyl)-3-methylthiourea
C10H12N2OS (208.06703019999998)
N-(3-chloro-4-cyano-2-methylphenyl)acetamide
C10H9ClN2O (208.04033739999997)
2-oxo-N-propan-2-yl-1,3-oxazolidine-3-sulfonamide
C6H12N2O4S (208.05177519999998)
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
1-[5-(3-HYDROXY-3-METHYLBUT-1-YNYL)-2-THIENYL]ETHAN-1-ONE
ethyl 6-fluoroimidazo[1,2-a]pyridine-2-carboxylate
C10H9FN2O2 (208.06480259999998)
4-hydroxy-4-(3-hydroxyphenyl)-2-oxobut-3-enoic acid
3-METHYL-5-(5-METHYLISOXAZOL-3-YL)ISOXAZOLE-4-CARBOXYLIC ACID
N-(5-Chloro-2-methylphenyl)-2-cyanoacetamide
C10H9ClN2O (208.04033739999997)
1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
C10H9ClN2O (208.04033739999997)
Ethyl 5-hydroxyfuro[2,3-d]pyrimidine-6-carboxylate
Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate
8-Chloro-2-ethoxy-1,5-naphthyridine
C10H9ClN2O (208.04033739999997)
1-VINYL-3-(CHLOROMETHYL)-1,1,3,3-TETRAMETHYLDISILOXANE
Pyridazine,3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)-
(3-(3-CHLOROPHENYL)ISOXAZOL-5-YL)METHANAMINE
C10H9ClN2O (208.04033739999997)
Ethyl 6-fluoro-1H-indazole-3-carboxylate
C10H9FN2O2 (208.06480259999998)
6-chloro-8-methoxyquinolin-4-amine
C10H9ClN2O (208.04033739999997)
4-Amino-8-chloro-5-methoxyquinoline
C10H9ClN2O (208.04033739999997)
6,7-dihydroxy-1-oxo-2,3-dihydroindene-4-carboxylic acid
2-chloro-8-methoxy-7-methylquinazoline
C10H9ClN2O (208.04033739999997)
6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
2-(CHLOROMETHYL)-6-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
C10H9ClN2O (208.04033739999997)
3-(Cyclopropylmethyl)thiophenylboronic acid
C10H13BO2S (208.07292680000003)
(3-(CYCLOBUTYLTHIO)PHENYL)BORONIC ACID
C10H13BO2S (208.07292680000003)
3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole
C10H9ClN2O (208.04033739999997)
2-AMINO-4-(4-FLUORO-3-METHYL)PHENYLTHIAZOLE
C10H9FN2S (208.04704459999996)
ETHYL4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLATE
C10H12N2OS (208.06703019999998)
(E)-N-HYDROXY-2-(3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETIMIDAMIDE
4-Chloro-5-methyl-2-(1H-pyrazol-5-yl)phenol
C10H9ClN2O (208.04033739999997)
6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1-BENZOFURAN-3-CARBOXYLIC ACID
1-Ethyl-3-methylimidazolium hydrogen sulfate
C6H12N2O4S (208.05177519999998)
3-(3-FURAN-2-YL-[1,2,4]OXADIAZOL-5-YL)-PROPIONIC ACID
5-AMINO-2-METHYL-BENZENEMETHANAMINE DIHYDROCHLORIDE
2-(2-CHLORO-PHENYL)-OXAZOL-4-YL-METHYLAMINE
C10H9ClN2O (208.04033739999997)
ETHYL 4-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-5-CARBOXYLATE
C7H7F3N2O2 (208.04595980000002)
1-(3-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
C10H9ClN2O (208.04033739999997)
[(4-Chlorophenyl)ethynyl](trimethyl)silane
C11H13ClSi (208.04750080000002)
5-(4-CHLOROPHENYL)-2,4-DIHYDRO-2-METHYL-3H-PYRAZOL-3-ONE
C10H9ClN2O (208.04033739999997)
N-(4-methyl-1,3-thiazol-2-yl)imidazole-1-carboxamide
6-propoxy-1,3-benzothiazol-2-amine
C10H12N2OS (208.06703019999998)
Betahistine Dihydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine dihydrochloride is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine dihydrochloride is used for the study of rheumatoid arthritis (RA)[3].
2-(3-CHLORO-PHENYL)-OXAZOL-4-YL-METHYLAMINE
C10H9ClN2O (208.04033739999997)
6-(4-chlorophenyl)-4,5-dihydropyridazin-3(2H)-one
C10H9ClN2O (208.04033739999997)
5-Chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
C10H9ClN2O (208.04033739999997)
2-(CHLOROMETHYL)-7-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
C10H9ClN2O (208.04033739999997)
2-Chloro-1-(2-methyl-1H-benzimidazol-1-yl)ethanone
C10H9ClN2O (208.04033739999997)
2-Chloro-N-[4-(cyanomethyl)phenyl]acetamide
C10H9ClN2O (208.04033739999997)
2-chloro-7-methoxy-4-methylquinazoline
C10H9ClN2O (208.04033739999997)
C-[3-(2-CHLORO-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE
C10H9ClN2O (208.04033739999997)
(5-BROMO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-ACETIC ACID
4-(4-FLUOROPHENYL)-5-METHYLTHIAZOL-2-AMINE
C10H9FN2S (208.04704459999996)
N-(4-CHLOROBENZYL)-2-CYANOACETAMIDE
C10H9ClN2O (208.04033739999997)
Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
C10H9FN2O2 (208.06480259999998)
2-(Chloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
C10H9ClN2O (208.04033739999997)
2-Benzothiazolamine,6-(1-methylethoxy)-(9CI)
C10H12N2OS (208.06703019999998)
1,3-DiMethyliMidazoliuM Methylsulfate
C6H12N2O4S (208.05177519999998)
2-MORPHOLINO-2-(2-THIENYL)ACETONITRILE
C10H12N2OS (208.06703019999998)
2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole
C10H9ClN2O (208.04033739999997)
3-Acetyl-6-chloro-4-Methyl-5-azaindole
C10H9ClN2O (208.04033739999997)
(5-Methyl-3-trifluoromethylpyrazol-1-yl)acetic acid
C7H7F3N2O2 (208.04595980000002)
2-ETHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
C7H7F3N2O2 (208.04595980000002)
5-(Chloromethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
C10H9ClN2O (208.04033739999997)
3-(Chloromethyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
C10H9ClN2O (208.04033739999997)
2-chloro-n-(4-cyanophenyl)propanamide
C10H9ClN2O (208.04033739999997)
[tert-butyl(dimethyl)silyl] 2-chloroacetate
C8H17ClO2Si (208.06862920000003)
1H-Indazole, 1-(2-chloro-1-oxopropyl)- (9CI)
C10H9ClN2O (208.04033739999997)
N-Hydroxy-2-(3-trifluoromethyl-pyrazol-1-yl)-acetamidine
2-(CHLOROMETHYL)-3-METHYLQUINAZOLIN-4(3H)-ONE
C10H9ClN2O (208.04033739999997)
2-chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole
C10H9ClN2O (208.04033739999997)
2-(6-fluoro-1-methyl-1H-indazol-5-yl)acetic acid
C10H9FN2O2 (208.06480259999998)
5-Fluoro-1H-indazole-3-carboxylic acid ethyl ester
C10H9FN2O2 (208.06480259999998)
5-Chloromethyl-3-p-tolyl-[1,2,4]oxadiazole
C10H9ClN2O (208.04033739999997)
Ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
C7H7F3N2O2 (208.04595980000002)
2-Thiazolamine,4,5-dihydro-N-(4-methoxyphenyl)-
C10H12N2OS (208.06703019999998)
7-Fluoro-3,4-dihydro-4-methyl-1h-1,4-benzodiazepine-2,5-dione
C10H9FN2O2 (208.06480259999998)
Meso-lanthionine
C6H12N2O4S (208.05177519999998)
The meso-isomer of lanthionine. It is a key constituent of bacterial peptidoglycan type A51 and A3delta.
2-amino-4-oxo-7,8-dihydro-1H-pteridine-6-carboxamide
6-tert-Butyl-3H-thieno[3,2-d]pyrimidin-4-one
C10H12N2OS (208.06703019999998)
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
C10H9FN2O2 (208.06480259999998)
Methyl(6S)-1-thio-L-manno-hexodialdo-6,2-pyranoside
Corbit
Anthraquinone is used as a precursor for dye formation. Anthraquinone is used as a precursor for dye formation.
(2S)-2-azaniumyl-3-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanylpropanoate
C6H12N2O4S (208.05177519999998)
N,N-dihydroxydihomomethioninate
Conjugate base of N,N-dihydroxydihomomethionine.
1,3-Dimethyl-2H-pyrimido(1,2-A)(1,3,5)triazine-2,4,8-(1H,3H)-trione
(R)-dihydrolipoic acid
The (R)-enantiomer and bioactive form of dihydrolipoic acid.
L-lanthionine dizwitterion
C6H12N2O4S (208.05177519999998)
An L-alpha-amino acid zwitterion that is the dizwitterionic form of L-lanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3.
methyl beta-D-glucuronoside
A derivative of beta-D-glucuronic acid in which a methyl group is present at the anomeric position.
Dihydrolipoic acid
A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. D020011 - Protective Agents > D000975 - Antioxidants