Exact Mass: 248.11856699999998
Exact Mass Matches: 248.11856699999998
Found 500 metabolites which its exact mass value is equals to given mass value 248.11856699999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-HYDROXYMELATONIN
A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents 6-Hydroxymelatonin is a primary metabolic of Melatonin, which is metabolized by cytochrome P450 (CYP) 1A2.
Pyriculol
A benzaldehyde that is salicylaldehyde which is substituted at position 6 by a (3R,4S,5E)-3,4-dihydroxyhepta-1,5-dien-1-yl group. It is a phytotoxic metabolite, isolated from the rice blast fungi Magnaporthe oryzae and Magnaporthe grisea.
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.
Bromelains
Enzymes occurring in pineapple juice (Ananas sativus); used in tenderising meat and chill-proofing beer [DFC]. Along with papain, bromelain is one of the most popular substances to use for meat tenderizing.; Bromelain can refer to one of two protease enzymes extracted from the plant family Bromeliaceae, or it can refer to a combination of those enzymes along with other compounds produced in an extract. [BioSpider]. Bromelains is found in pineapple and fruits. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives Enzymes occurring in pineapple juice (Ananas sativus); used in tenderising meat and chill-proofing beer [DFC] C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
6-Hydroxymelatonin
6-Hydroxymelatonin, also known as lopac-H-0627, belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. 6-Hydroxymelatonin is considered to be a practically insoluble (in water) and relatively neutral molecule. 6-Hydroxymelatonin has been found in human liver and kidney tissues, and has also been detected in multiple biofluids, such as urine and blood. Within the cell, 6-hydroxymelatonin is primarily located in the cytoplasm. 6-Hydroxymelatonin is the main primary metabolite that can be biosynthesized from melatonin through its interaction with the enzyme cytochrome P450 (CYP) 1A2 (PMID: 11452239). In humans, 6-hydroxymelatonin is involved in the tryptophan metabolism pathway. Melatonin is a hormone that is metabolized by cytochrome P450 (CYP) 1A2 to its main primary metabolite 6-hydroxymelatonin. (PMID 11452239) [HMDB]. 6-Hydroxymelatonin is found in many foods, some of which are garden onion, millet, peppermint, and apricot. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents 6-Hydroxymelatonin is a primary metabolic of Melatonin, which is metabolized by cytochrome P450 (CYP) 1A2.
(+)-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
C9H16N2O6 (248.10083160000002)
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
C9H16N2O6 (248.10083160000002)
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
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside is found in herbs and spices. (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside occurs in fennel.
Prenyl glucoside
Prenyl glucoside is found in citrus. Prenyl glucoside is isolated from satsuma orange (Citrus unshiu
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
Methionyl-Valine
Methionyl-Valine is a dipeptide composed of methionine and valine. 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.
Valylmethionine
Valylmethionine is a dipeptide composed of valine and methionine. 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.
Threonylglutamic acid
C9H16N2O6 (248.10083160000002)
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.
Histidylproline diketopiperazine
Histidylproline diketopiperazine is a cyclic dipeptide initially described in both the hypothalamus and cerebral tissues, has been detected in various sites outside the central nervous system, including the gastrointestinal tract and, more specifically, the endocrine pancreas. Histidylproline diketopiperazine belongs to the family of Dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups. A cyclic dipeptide initially described in both the hypothalamus and cerebral tissues, has been detected in various sites outside the central nervous system, including the gastrointestinal tract and, D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D049990 - Membrane Transport Modulators
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)
cyclic 3-Hydroxymelatonin
This compound belongs to the family of Pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.
2-Oxomelatonin
2-Oxomelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
8-Cyclopentyl-1,3-dimethylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists 8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].
Tetrahydrouridine
C9H16N2O6 (248.10083160000002)
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
4-pentyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
C12H16N4S (248.10956159999998)
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
(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
7-Hydroxy-2-(2-hydroxybutyl)-5-methyl-2-chromene-4-one
Crenulatin
Crenulatin is a natural product found in Ferula sinaica, Nolina microcarpa, and other organisms with data available. Crenulatin is a gallotannin that can be isolated from Rhodiola rosea. Crenulatin can be used as a biomarker to identify potentially adulterated R. rosea products. Crenulatin has dual- direction effects on apoptosis of cerebral microvascular endothelial cells, via regulating Fas/Bcl-2 expression and caspase-3 activity[1][2][3]. Crenulatin is a gallotannin that can be isolated from Rhodiola rosea. Crenulatin can be used as a biomarker to identify potentially adulterated R. rosea products. Crenulatin has dual- direction effects on apoptosis of cerebral microvascular endothelial cells, via regulating Fas/Bcl-2 expression and caspase-3 activity[1][2][3].
1-O-(3-methylbut-3-enyl)-beta-D-glucopyranose|1-O-(3-methylbut-3-en-1-yl)-beta-D-glucopyranose
3-Acetoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on|3-acetoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one|N-O-Acetylcytisine
4-acetyl-3-hydroxy-1-hydroxymethyl-6-methyl-5-oxo-5,6,7,8-tetrahydronaphthalene|goldfussin B
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-2H-1-benzopyran-6-yl)-2-propenoic acid
Methyl glycoside,2,3-O-isopropylidene,6-Me-Talose,
1-Butoxy-6-(hydroxymethyl)-2-oxabicyclo(4.1.0)heptane-4,5,7-triol
8-Cyclopentyl-1,3-dimethylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists 8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].
(1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
gamma-Glutamylthreonine
C9H16N2O6 (248.10083160000002)
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)
Glu-THR
C9H16N2O6 (248.10083160000002)
A dipeptide composed of L-glutamic acid and L-threonine joined by a peptide linkage.
(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]
8-Cyclopentyltheophylline
8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].
Met-val
A dipeptide formed from L-methionine and L-valine residues.
Val-met
A dipeptide formed from L-valine and L-methionine residues.
5-hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
7-Hydroxy-6-(methoxyacetyl)-2,2-dimethyl-2H-1-benzopyran
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
2-[(5R,8S,8aS)-3,8-Dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylic acid
Sphaerindicin
(+)-reynosin
ascr#9
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (4R)-4-hydroxypentanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematodes Caenorhabditis elegans and Pristionchus pacificus.
oscr#9
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 5-hydroxypentanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
sporogen-AO-1
1-deoxy-11-oxopentalenic acid
A tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and a keto group is located at position 11.
Dehydroipomeamarone
3a-(Trifluoromethyl)decahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
Atipamezole hydrochloride
Atipamezole (MPV-1248) hydrochloride is a potent α2-adrenoceptor antagonist with a Ki of 1.6 nM[1].
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
5-[4-(DIMETHYLAMINO)PHENYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
C12H16N4S (248.10956159999998)
2-(3,4-DIMETHYLBENZOYL)-3-OXO-BUTYRICACIDMETHYLESTER
3-[3-(2-ETHOXYCARBONYL-ETHOXY)-PROPOXY]-PROPIONICACID
2-(1-BENZYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)ACETONITRILE HYDROCHLORIDE
2-Methyl-2-propanyl 3-(4-methylphenyl)-2,3-dioxopropanoate
TERT-BUTYL 3-(HYDROXYMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
2-chloro-4-[cyclopropylmethyl(propyl)amino]benzonitrile
Methylbis(trimethylsilyloxy)vinylsilane
C9H24O2Si3 (248.10840439999998)
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
C12H14BFN2O2 (248.11323060000004)
Ethyl 2,3-O-isopropylidene-1-thio-a-L-rhamnopyranoside
3-(3,4-DIETHOXY-PHENYL)-PROPYLAMINE
C13H16N2OS (248.09832859999997)
Amobarbital Sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
2,2-DIMETHYL-4-OXO-4-(2,4,6-TRIMETHYLPHENYL)BUTYRIC ACID
2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde
5-METHOXY-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5,6-DIAMINO-1-ETHYL-3-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE HYDROCHLORIDE
TERT-BUTYL 5-AMINO-2-AZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE HYDROCHLORIDE
2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H17BO4 (248.12198320000002)
Tetrahydrouridine
C9H16N2O6 (248.10083160000002)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2135 - Cytidine Deaminase Inhibitor D009676 - Noxae > D000963 - Antimetabolites
2-(1-(4-FLUOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
5-Carbamoylpyridine-3-boronic acid pinacol ester
C12H17BN2O3 (248.13321620000002)
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C13H17BO4 (248.12198320000002)
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanamine
C12H16N4S (248.10956159999998)
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
6-Methylpyridinyl-2-boronic acid MIDA ester
C11H13BN2O4 (248.09683280000002)
1-Isopentyl-7-methyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
ISOPENTYL 3-AMINOFURO[2,3-B]PYRIDINE-2-CARBOXYLATE
(2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate
2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE
3-Methacryloxypropyltrimethoxysilane
C10H20O5Si (248.10799500000002)
TERT-BUTYL 3-(HYDROXYMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
Methyl 5,6-dimethoxy-3,4-dihydro-1-naphthalenecarboxylate
1,1,3,3-TETRAMETHYL-1-(3-(OXIRAN-2-YLMETHOXY)PROPYL)DISILOXANE
4-Pyridinecarbonitrile,3,5-bis(trimethylsilyl)-(9CI)
1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
1-(4-Methoxybutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C13H17BO4 (248.12198320000002)
4-Carboxyphenylboronic Acid Pinacol Ester
C13H17BO4 (248.12198320000002)
[4-(1-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
2-N-(2-phenylethyl)benzene-1,2-diamine,hydrochloride
2-propenoic acid,2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-inden-5-yl)oxy]ethyl ester
Propanoic acid, 2-[(3-ethoxy-3-oxopropyl)thio]-2-methyl-, ethyl ester
TERT-BUTYL 5-(HYDROXYMETHYL)-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
(S)-3-amino-1-(4-methoxybenzyl)piperidine-2,6-dione hydrochloride
3-Cyanopyridine-5-boronic acid pinacol ester
C12H17BN2O3 (248.13321620000002)
6,7-dimethoxy-N~2~,N~2~-dimethylquinazoline-2,4-diamine
2-Carboxyphenylboronic acid, pinacol ester
C13H17BO4 (248.12198320000002)
5-Acrylamido-2-((dimethylamino)methyl)phenylboronic acid
C12H17BN2O3 (248.13321620000002)
ethyl 6-(tert-butyl)-3-cyano-2-hydroxyisonicotinate
1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethan-1-one
2-(3-Methoxybenzylidene)-3-oxobutyric acid ethyl ester
tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate
N-methoxy-N-methyl-3-propan-2-ylbenzotriazole-5-carboxamide
1-(4-(DIMETHYLAMINO)PHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
1-(2-HYDROXY-ETHYL)-2-METHYL-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
4-(NAPHTHALEN-1-YL)PHENYLBORONIC ACID
C16H13BO2 (248.10085480000004)
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
[4-(4-Acetyl-1-piperazinyl)phenyl]boronic acid
C12H17BN2O3 (248.13321620000002)
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
[3-(1-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
beta-[3-(2-Naphthalenyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
[2-(2-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
3-(7-tert-Butyl-2,3-dihydrobenzofuran-5-yl)propionic Acid
2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone
6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one
1-(8b-Hydroxy-7-methoxy-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
(4R)-4-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoic acid
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoic acid
(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienal
N-(2-(2-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazole
5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
C10H12N6O2 (248.10216920000002)
2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
C13H16N2OS (248.09832859999997)
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
Dimethyl 3-[(trimethylsilyl)oxy]pentanedioate
C10H20O5Si (248.10799500000002)
5-{[(2-Amino-9H-purin-6-YL)oxy]methyl}-2-pyrrolidinone
C10H12N6O2 (248.10216920000002)
73030-71-4
Atractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells. Atractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells.
Balchanin
Santamarin is a sesquiterpene lactone of the eudesmanolide group. Santamarine is a natural product found in Centaurea uniflora, Eupatorium capillifolium, and other organisms with data available.
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside is found in herbs and spices. (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside occurs in fennel. Occurs in fennel. Tiglic alcohol glucoside is found in herbs and spices.
3a-Hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
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
(3aR,4R,10E,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
(4S)-4-(5,5-dimethyl-6-oxocyclohexen-1-yl)cyclohexene-1-carboxylic acid
2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-
C9H16N2O6 (248.10083160000002)
D009676 - Noxae > D000963 - Antimetabolites
CID 23697378
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[(2R)-3-carboxy-2-(2-carboxyacetyl)oxypropyl]-trimethylazanium
5Alpha-Epoxyalantolactone
A sesquiterpene lactone that is the 5alpha-epoxy derivative of alantolactone. Isolated from the root extracts of Inula helenium, it exhibits antimycobacterial activity.
2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-, (5R-cis)-
8-Epiinuviscolide
A sesquiterpene lactone that is the C-8 epimer of inuviscolide. It has been isolated from the aerial parts of Inula hupehensis.
Deacetyllaurenobiolide
A germacranolide derived from laurenobiolide by deacetylation.
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.
(E)-6-hydroxy-2-methyl-6-(4-methylphenyl)hept-2-enoic acid
(9E)-3,6,10-trimethyl-4,6,7,8,11,11a-hexahydrocyclodeca[b]furan-2,5-dione
(2R,5S,9R,12R)-13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione
3-amino-5-(1-naphthalenylmethyl)-1H-pyrazole-4-carbonitrile
3-(hydroxymethyl)-2-methyl-6-[(E)-pent-3-enyl]-2,3-dihydro-1-benzouran-4-ol
3-ethyl-5-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-4H-1,2,4-triazol-4-amine
C11H13FN6 (248.11856699999998)
Inuloxin A
A sesquiterpene lactone with formula C15H20O3. It is a natural product isolated from the aerial parts of Inula viscosa, a widespread Mediterranean plant known for its content of pharmacologically active metabolites. It has herbicidal, antifungal and antiamoebic activity.
N-hydroxyhexahomomethioninate
Conjugate base of N-hydroxyhexahomomethionine.
(1R,2S,4R,7Z,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
(Z)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]phenyl]prop-2-enoic acid
3-Carboxylato-2-(carboxyacetyloxy)-N,N,N-trimethyl-1-propaneaminium
[(2S)-3-carboxy-2-(2-carboxyacetyl)oxypropyl]-trimethylazanium
1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-(oxidoamino)urea
(2S)-2-amino-6-[[(3R)-3,4-dihydroxy-2-oxobutyl]amino]hexanoic acid
C10H20N2O5 (248.13721500000003)
1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-methyloxime)
3-Ethyl-3,4-dihydro-2(1H)-quinoxalinone, TMS derivative
(E)-1-Chlorodimethylsilyl-1-trimethylsilyl-3,3-dimethyl-1-butene
2-[(Z)-2,4-Hexadiynylidene]-1,6-dioxaspiro[4.5]decane-3,4-diol
Pentobarbital sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
(3aR,6E,8S,10E,11aS)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
abscisic aldehyde
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.
2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxobutyl)-
THR-Glu
C9H16N2O6 (248.10083160000002)
A dipeptide formed from L-threonine and L-glutamic acid residues.
(2S)-2-(4-{[(1R,2S)-2-hydroxycyclopentyl]methyl}phenyl)propanoic acid
A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-hydroxycyclopentyl)methyl]phenyl group (the 2S,1R,2S-stereoisomer. The active metabolite of loxoprofen.
2-hydroxymelatonin
A member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants.
3beta-Hydroxycostunolide
A heterobicyclic compound that is costunolide in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.
L-gamma-Glu-L-THR
C9H16N2O6 (248.10083160000002)
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-threonnine.
3,5,8-trimethyl-3h,3ah,4h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2,6-dione
2-[(3as,6s,7s,7as)-6-methyl-3-methylidene-2-oxo-7-(prop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-6-yl]acetaldehyde
(3ar,6r,8ar,9ar)-6-hydroxy-5,8a-dimethyl-3-methylidene-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
(1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol
(4s,5r)-5-[(1e)-2,6-dimethyl-5-oxohepta-1,6-dien-1-yl]-4-hydroxy-2-methylcyclopent-2-en-1-one
3-(furan-3-yl)-7-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
5-hydroxy-2-[(2z)-6-methylhept-2-en-2-yl]benzoic acid
5-hydroxy-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
9a-hydroxy-4,4,7-trimethyl-4ah,5h,6h,8ah,9h-naphtho[2,3-b]furan-2-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
4-[(1e)-2-[(1s,4s)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethenyl]-5h-furan-2-one
4-[(3e)-4,8-dimethyl-6-oxonona-3,7-dien-1-yl]-5h-furan-2-one
7-hydroxy-6-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
4-hydroxy-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(3s,4s)-4-hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one
(3ar,4ar,5r,7ar,9ar)-5-hydroxy-5-methyl-3,8-dimethylidene-octahydroazuleno[6,5-b]furan-2-one
2-[(1e,3e,5r,6s)-5,6-dihydroxyhepta-1,3-dien-1-yl]-6-hydroxybenzaldehyde
(3s,3as,6ar,9s,9ar,9bs)-3,9-dimethyl-6-methylidene-octahydro-3h-azuleno[4,5-b]furan-2,8-dione
(3ar,4s,11ar)-4-hydroxy-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
8-hydroxy-3,7,7-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁵,⁹]tridec-9-en-11-one
5,12,12-trimethyl-6-oxatetracyclo[6.5.0.0¹,⁵.0²,¹¹]tridecane-4,7-dione
(1s,6r,12r)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0¹,⁶.0¹²,¹⁵]pentadec-8-en-4-one
6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-5-one
(1r,6r,12r,15s)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0¹,⁶.0¹²,¹⁵]pentadec-8-en-4-one
3-(4-methoxyphenyl)prop-2-en-1-yl 3-methylbutanoate
(2s,3r,6s,11r)-11-hydroxy-2,3,10,10-tetramethyltricyclo[6.3.0.0²,⁶]undec-1(8)-ene-4,9-dione
1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-triene-4,10-diol
(3as,5as,8s,8ar,8bs)-5a,8-dimethyl-3-methylidene-2-oxo-hexahydro-3ah-indeno[4,5-b]furan-8-carbaldehyde
{4,4-dimethyl-4ah,5h,6h,8ah,9h-naphtho[2,3-b]furan-7-yl}methanethiol
5-hydroxy-5,8a-dimethyl-3-methylidene-3ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
(3ar,4ar,5r,7ar,9ar)-5-hydroxy-5,8-dimethyl-3-methylidene-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3as,5as,8s,9bs)-8-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,8h,9bh-naphtho[1,2-b]furan-2-one
(1z,5e,8e)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylic acid
(3as,10r,11ar)-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,10h,11h,11ah-cyclodeca[b]furan-2,9-dione
4-{n-[(2s)-1,1-dihydroxy-3-methylbutan-2-yl]-(c-hydroxycarbonimidoyl)amino}butanoic acid
C10H20N2O5 (248.13721500000003)
(4s)-4-[(3e)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]-3-methylideneoxolan-2-one
(4r,4ar,5r)-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4,5-diol
(1r,2s,4r,5r,8e,11s)-5,9-dimethyl-14-methylidene-3,12-dioxatricyclo[9.3.0.0²,⁴]tetradec-8-en-13-one
(4as,8as,9s,9ar)-9-hydroxy-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
(3ar,8as,9ar)-8a-(hydroxymethyl)-5-methyl-3-methylidene-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
1-[(2s)-6-hydroxy-7-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylic acid
(4s,4ar)-4-hydroxy-6,6,8-trimethyl-3h,4h,4ah,5h,7h,9h-azuleno[5,6-c]furan-1-one
(1s,2r,5r,7s)-9-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undec-8-ene-10,11-dione
1-[(1r,2s,5s)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbut-2-en-1-one
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)ethanone
6-hydroxy-4a,5-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,8h,9ah-naphtho[2,3-b]furan-2-one
(1r,3s,5r,8e,11s)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-13-one
(1r,2s,4s,11s)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-13-one
(3as,8r,11as)-8-hydroxy-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(5r,6r)-6-hydroxy-2-methyl-5-[(2s)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one
(1z,5z,8z)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carboxylic acid
3,4a-dimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-5-carboxylic acid
(8r)-8,12-dimethyl-4-methylidene-2,13-dioxatetracyclo[7.5.0.0¹,⁵.0¹²,¹⁴]tetradecan-3-one
(2r)-2-({[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}oxy)butanedioic acid
C9H16N2O6 (248.10083160000002)