Exact Mass: 248.0885
Exact Mass Matches: 248.0885
Found 500 metabolites which its exact mass value is equals to given mass value 248.0885,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sudan_I
C.i. solvent yellow 14 appears as dark reddish-yellow leaflets or orange powder. Slight odor. (NTP, 1992) Sudan I is a monoazo compound. It has a role as a dye. It is functionally related to a 2-naphthol. D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 5651
Pyrimethamine
Pyrimethamine is only found in individuals that have used or taken this drug. It is one of the folic acid antagonists that is used as an antimalarial or with a sulfonamide to treat toxoplasmosis. [PubChem]Pyrimethamine inhibits the dihydrofolate reductase of plasmodia and thereby blocks the biosynthesis of purines and pyrimidines, which are essential for DNA synthesis and cell multiplication. This leads to failure of nuclear division at the time of schizont formation in erythrocytes and liver. CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7114 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7128; ORIGINAL_PRECURSOR_SCAN_NO 7126 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7115 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7093; ORIGINAL_PRECURSOR_SCAN_NO 7091 P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
5-Hydroxyindoleacetylglycine
5-Hydroxyindoleacetylglycine is found in Tryptophan metabolism [Kegg: C05832] [HMDB] 5-Hydroxyindoleacetylglycine is found in Tryptophan metabolism [Kegg: C05832].
1-Hydroxy-6-methoxypyrene
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Mycorradicin
Mycorradicin is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Mycorradicin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Mycorradicin can be found in corn, which makes mycorradicin a potential biomarker for the consumption of this food product.
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one
(+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in beverages. (+)-cis-5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
Glutamylthreonine
Glutamylthreonine is a dipeptide composed of glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylthreonine 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.
Gamma-Glutamylthreonine
gamma-Glutamylthreonine is a dipeptide composed of gamma-glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylthreonine 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.
Prenyl cis-caffeate
Prenyl cis-caffeate is a constituent of Populus species Prenyl cis-caffeate is a flavouring agent. Constituent of Populus subspecies
Citreovirenone
Citreovirenone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride B. Mycotoxin production by the rice storage mould Penicillium citreo-viride B.
3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-[2,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
3-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenoic acid
Threonylglutamic acid
Threonylglutamic acid is a dipeptide composed of threonine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Madia sativa (Chile tarweed)
p-Hydroxyphenobarbital
p-Hydroxyphenobarbital is a metabolite of Phenobarbital. Phenobarbital (INN) is a barbiturate and the most widely used anticonvulsant worldwide, and the oldest still commonly used. It also has sedative and hypnotic properties. (Wikipedia)
Hydroxynalidixic acid
Hydroxynalidixic acid is a metabolite of nalidixic acid. Nalidixic acid (tradenames Nevigramon, Neggram, Wintomylon and WIN 18,320) is the first of the synthetic quinolone antibiotics. In the technical sense, it is a naphthyridone, not a quinolone: its ring structure is a 1,8-naphthyridine nucleus that contains two nitrogen atoms, unlike quinoline, which has a single nitrogen atom. (Wikipedia)
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
2-(5'-methylthio)pentylmalate
2-(5-methylthio)pentylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(5-methylthio)pentylmalate can be found in a number of food items such as colorado pinyon, yellow bell pepper, asian pear, and celery stalks, which makes 2-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
3-(5'-methylthio)pentylmalate
3-(5-methylthio)pentylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(5-methylthio)pentylmalate can be found in a number of food items such as evening primrose, other bread, sunflower, and broad bean, which makes 3-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Harmine
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Pyriculariol
A member of the class of benzaldehydes that is salicylaldehyde which is substituted at position 6 by a (1E,3E,5R,6S)-5,6-dihydroxyhepta-1,3-dien-1-yl group. An isomer of pyriculol.
2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
7-Hydroxy-4-(3-methylbutoxy)-2H-1-benzopyran-2-one
3beta-methoxy-2, 3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran|6-acetyl-5-hydroxy-2-isopropenyl-3beta-methoxy-2,3-dihydrobenzofuran
(3R,3aR)-3-(3-furanyl)-3a-methyl-7-hydroxymethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one|10-hydroxyfraxinellone|30-hydroxyfraxinellone
(6S)-4-(2,4-hexadienoyl)-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-one|sorbicillinol
8-Methyl-8-(hydroxymethyl)-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b]dipyran-3-ol
2,2,5-Trimethyl-7-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
(E)-4-hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)-benzaldehyde
2,2-Dimethyl-8-methoxy-2H-1-benzopyran-6-carboxylic acid methyl ester
4-(1-hydroxy-2-butenyl)-1,4-dihydro-2,3-benzodioxocin-10-ol
6-Ethyl-4H-indolo[3,2,1-de][1,5]naphthyridine-4-one
Trans-dec-8.en-4,6-diyn-1-yl-cis-3-methylthioacrylat
(3S*,4S*,5R*)-(E)-3,4-dihydroxy-2-(hexa-2,4-diyniliden)-1,6-dioxaspiro-(4.5)-decane|(3S*,4S*,5R*)-(E)-3,4-Dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane|(E)-3beta,4alpha-dihydroxyl-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,5]decane
3-(5-methylene-2-oxo-6-penta-1,3-dienyl-5,6-dihydro-2H-pyran-3-yl)propionic acid|Dykellic acid
1-(2-methoxy-3-formyl-but-3-en-1-yl)-resacetophenone|1-<2-methoxy-3-formyl-but-3-en-1-yl>-resacetophenone
2,2,7-Trimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
nigerapyrone D
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-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
3-[(2E)-but-2-en-1-yl]-5-hydroxy-5,7-dimethyl-4,5-dihydro-1-benzofuran-2,6-dione|phialofurone
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,5-dione|linderolide H
2,6-Dimethyl-4-amino-7-methoxy-3,5,8(2H)-isoquinolinetrione
3-ethoxycarbonyl-3-hydroxyglutaric acid 1,5-dimethyl ester
7-Hydroxy-2-(2-hydroxybutyl)-5-methyl-2-chromene-4-one
4-acetyl-3-hydroxy-1-hydroxymethyl-6-methyl-5-oxo-5,6,7,8-tetrahydronaphthalene|goldfussin B
1,3-Dimethyl-6-propionylpteridine-2,4(1H,3H)-dione
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6-yl)-2-propenoic acid
Selisistat
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
Thiamet G
(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
pyrimethamine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists [Raw Data] CB119_Pyrimethamine_pos_50eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_40eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_30eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_20eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_10eV_CB000043.txt
gamma-Glutamylthreonine
A dipeptide composed of glutamic acid and threonine joined by a peptide linkage.
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one
C14H16O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5S,6S)
(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000846131]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based on: CCMSLIB00000847794]
8-hydroxy-3-(4-oxopentyl)-3,4-dihydroisochromen-1-one [IIN-based: Match]
(2S,3R)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one [IIN-based: Match]
Sudan I
CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10862; ORIGINAL_PRECURSOR_SCAN_NO 10860 D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10878; ORIGINAL_PRECURSOR_SCAN_NO 10876 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10910; ORIGINAL_PRECURSOR_SCAN_NO 10908 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10917; ORIGINAL_PRECURSOR_SCAN_NO 10916 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10908; ORIGINAL_PRECURSOR_SCAN_NO 10905 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10943; ORIGINAL_PRECURSOR_SCAN_NO 10942
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-
EX-527
Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
5-(2,5-dimethoxyphenyl)-1h-pyrazole-3-carboxylic acid
2-(3,4-DIMETHYLBENZOYL)-3-OXO-BUTYRICACIDMETHYLESTER
Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
2-Methyl-2-propanyl 3-(4-methylphenyl)-2,3-dioxopropanoate
6-(1,1-DIMETHYLPROPYL)-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
(4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
ethyl 5-hydroxy-2-oxo-1,3-dihydropyrido[4,3-b]azepine-4-carboxylate
3-(2-amino-2-carboxyethyl)-1H-indole-4-carboxylic acid
(1R)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
(1S)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
EX-527 (S-enantiomer)
(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC50 of 98 nM.
Propanebis(thioic)acid,S1,S3-bis(1,1-dimethylethyl) ester
(2-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde
5,6-DIAMINO-1-ETHYL-3-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE HYDROCHLORIDE
ETHYL 8-METHOXY-4-OXO-1,4-DIHYDRO-1,5-NAPHTHYRIDINE-3-CARBOXYLATE
Propanedioic acid, 2-[(2E)-3-chloro-2-propen-1-yl]-2-(1-methylethyl)-, 1,3-dimethyl ester
4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one
Tetrahydrouridine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2135 - Cytidine Deaminase Inhibitor D009676 - Noxae > D000963 - Antimetabolites
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
4-(1-pyrrolidinylmethyl)-benzenamine dihydrochloride
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
(3-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
2-ACETYL-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
ETHYL 4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
3-(6-(Methoxycarbonyl)naphthalen-2-yl)benzoic acid
1-ethyl-3-methylimidazol-3-ium,trifluoro(trifluoromethyl)boranuide
6-CHLORO-N4-(1-PHENYL-ETHYL)-PYRIMIDINE-4,5-DIAMINE
3-(2,5-DIMETHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
ETHYL 4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
Methyl 5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxylate
(3-Trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid
Piperazine,1-(4-methylphenyl)-, hydrochloride (1:2)
CYCLOPENTYLMETHYL-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
3-(2,5-dioxo-4-phenyl-imidazolidin-4-yl)propanoic acid
1H-1,2,4-Triazole-3-carboxamide,N-(3,4-dimethoxyphenyl)-(9CI)
Ethyl 6-acetoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Topiroxostat
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors
1-(4-Methoxy-phenyl)-5-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
4-chloro-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
6-amino-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONIC ACID
1,2,5,6-TETRAHYDRO-6-(2-HYDROXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
methyl 4-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxylate
2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
a-D-Xylofuranose,1,2-O-(1-methylethylidene)-, 5-(methyl carbonate) (9CI)
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOICACIDMETHYLESTER
(9-OXO-4,5,6,7,8,9-HEXAHYDRO-[1,2,4]TRIAZOLO-[5,1-B]QUINAZOLIN-2-YL)-ACETIC ACID
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
1,2,3,4-TETRAHYDRO-4-(P-HYDROXYPHENYL)-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
Censavudine
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
(R)-Selisistat ((R)-EX-527) is a R-enantiomer of Selisistat. Selisistat (EX-527) is a potent and selective SIRT1 inhibitor with IC50 of 98 nM.
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
4-[2-(2,4-Dioxopentan-3-ylidene)hydrazinyl]benzoic acid
2-(1-Methoxy-2-(naphthalen-1-yl)ethylidene)malononitrile
2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-hydroxy-4-oxo-, ethyl ester
5-{[(2-Amino-9H-purin-6-YL)oxy]methyl}-2-pyrrolidinone
3-[4-Hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]prop-2-enoic acid
3-(4-Oxopentyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-
D009676 - Noxae > D000963 - Antimetabolites
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
3,4-Dihydroxy-5-prenylcinnamic acid
A hydroxycinnamic acid that is trans-caffeic acid substituted by a prenyl group at position 5. Isolated from Brazilian propolis, it exhibits antioxidant activity.
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
6-methyl-2-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one
(Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoic acid
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-methyloxime)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-hydroxy-4-oxo-, ethyl ester
2-[(Z)-2,4-Hexadiynylidene]-1,6-dioxaspiro[4.5]decane-3,4-diol
5-Hydroxyindoleacetylglycine
An N-acylglycine resulting from the formal condensation of the carboxy group of (5-hydroxyindol-3-yl)acetic acid with the amino group of glycine.
7,8-Dihydropyrene-7-carboxylate
A member of the class of pyrenes that is 1,2-dihydropyrene substituted by a carboxy group at position 2.
Monocyclohexyl phthalate
A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with cyclohexanol. It is a metabolite of the commonly used plasticiser dicyclohexyl phthalate.
L-gamma-Glu-L-THR
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-threonnine.
3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
2-methyl-5-(6-methyl-5,6-dihydro-4h-pyran-2-carbonyl)benzene-1,3-diol
7-hydroxy-6-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
2-[(1e,3e,5r,6s)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
1-[(2s)-6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone
(2r)-2-({[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}oxy)butanedioic acid
1-(7-hydroxy-8-methoxy-2,2-dimethylchromen-6-yl)ethanone
4-[(4e)-hex-4-enoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
2-[(1e,3s,4s,5e)-3,4-dihydroxyhepta-1,5-dien-1-yl]-6-hydroxybenzaldehyde
8-ethyl-3-(hydroxymethyl)-2,8-dimethylchromene-4,7-dione
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)ethanone
(3ar,4ar,7as,8r,9ar)-7a-hydroxy-8-methyl-3-methylidene-3ah,4h,4ah,8h,9h,9ah-azuleno[6,5-b]furan-2,5-dione
7-hydroxy-4-isopropyl-3-methoxy-6-methylchromen-2-one
7-hydroxy-3-(2-hydroxypropyl)-5,6-dimethylisochromen-1-one
3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione
7-hydroxy-2-[(1e)-3-hydroxyprop-1-en-1-yl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane
{"Ingredient_id": "HBIN009643","Ingredient_name": "(3s*,4s*,5r*)-(e)-3,4-dihydroxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro-(4,5)decane","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC#CC#CC=C1C(C(C2(O1)CCCCO2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012165","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-3-methoxy-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6beta-hydroxyfraxinellone
{"Ingredient_id": "HBIN012275","Ingredient_name": "6beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "15.20442498","CAS_id": "NA","SymMap_id": "SMIT07894","TCMID_id": "NA","TCMSP_id": "MOL006245","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
(6r,7r,8r)-8-methoxygoniodiol
{"Ingredient_id": "HBIN012779","Ingredient_name": "(6r,7r,8r)-8-methoxygoniodiol","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "COC(C1=CC=CC=C1)C(C2CC=CC(=O)O2)O","Ingredient_weight": "248.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13936","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44566796","DrugBank_id": "NA"}
9beta-hydroxyfraxinellone
{"Ingredient_id": "HBIN014071","Ingredient_name": "9beta-hydroxyfraxinellone","Alias": "NA","Ingredient_formula": "C14H16O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "248.27 g/mol","OB_score": "96.52281962","CAS_id": "NA","SymMap_id": "SMIT07920","TCMID_id": "NA","TCMSP_id": "MOL006274","TCM_ID_id": "NA","PubChem_id": "478833","DrugBank_id": "NA"}
anticancer alkaloid pmv70p691-050
{"Ingredient_id": "HBIN016308","Ingredient_name": "anticancer alkaloid pmv70p691-050","Alias": "NA","Ingredient_formula": "C16H12N2O","Ingredient_Smile": "COC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
