Exact Mass: 248.122
Exact Mass Matches: 248.122
Found 500 metabolites which its exact mass value is equals to given mass value 248.122,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Parthenolide
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one is a germacranolide. Parthenolide has been used in trials studying the diagnostic of Allergic Contact Dermatitis. (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one is a natural product found in Cyathocline purpurea, Tanacetum parthenium, and other organisms with data available. Parthenolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Thus, parthenolide is considered to be an isoprenoid lipid molecule. Parthenolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Parthenolide is a bitter tasting compound found in sweet bay, which makes parthenolide a potential biomarker for the consumption of this food product. Parthenolide is a sesquiterpene lactone of the germacranolide class which occurs naturally in the plant feverfew (Tanacetum parthenium), after which it is named. It is found in highest concentration in the flowers and fruit . relative retention time with respect to 9-anthracene Carboxylic Acid is 1.002 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.000 Parthenolide is a sesquiterpene lactone found in the medicinal herb Feverfew. Parthenolide exhibits anti-inflammatory activity by inhibiting NF-κB activation; also inhibits HDAC1 protein without affecting other class I/II HDACs. Parthenolide is a sesquiterpene lactone found in the medicinal herb Feverfew. Parthenolide exhibits anti-inflammatory activity by inhibiting NF-κB activation; also inhibits HDAC1 protein without affecting other class I/II HDACs.
Mecheliolide
Micheliolide is a sesquiterpene lactone. Micheliolide is a natural product found in Costus and Magnolia champaca with data available. Micheliolide can attenuate high glucose-stimulated NF-κB activation, IκBα degradation, and the expression of MCP-1, TGF-β1, and FN in mouse mesangial cells. Micheliolide can attenuate high glucose-stimulated NF-κB activation, IκBα degradation, and the expression of MCP-1, TGF-β1, and FN in mouse mesangial cells.
codonolactone
Atractylenolide III is a naphthofuran. It has a role as a metabolite. Atractylenolide III is a natural product found in Codonopsis canescens, Codonopsis subglobosa, and other organisms with data available. A natural product found in Atractylodes lancea. 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.
Santamarin
Santamarin, also known as (+)-santamarine or balchanin, belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Santamarin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Santamarin can be found in sweet bay, which makes santamarin a potential biomarker for the consumption of this food product. 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.
Tomentosin
Tomentosin is a sesquiterpene lactone. Tomentosin is a natural product found in Apalochlamys spectabilis, Leucophyta brownii, and other organisms with data available.
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.
Confertin
A natural product found in Inula hupehensis. A pseudoguaianolide that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by an oxo group at position 5, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis.
Artabsin
Constituent of Artemisia absinthium (wormwood). Artabsin is found in alcoholic beverages and herbs and spices. Artabsin is found in alcoholic beverages. Artabsin is a constituent of Artemisia absinthium (wormwood).
Artemorin
Artemorin is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Artemorin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Artemorin is a bitter tasting compound found in sweet bay, which makes artemorin a potential biomarker for the consumption of this food product.
Eupatolide
A germacranolide with formula C15H20O3, isolated from several Inula species. It exhibits anti-cancer properties.
Pseudoivalin
Tamaulipin A
(+)-cis-abscisic aldehyde
(+)-cis-abscisic aldehyde is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (+)-cis-abscisic aldehyde is considered to be an isoprenoid lipid molecule (+)-cis-abscisic aldehyde is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-cis-abscisic aldehyde can be found in a number of food items such as american cranberry, wild leek, lotus, and yautia, which makes (+)-cis-abscisic aldehyde a potential biomarker for the consumption of these food products.
1-Deoxy-11-oxopentalenate
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
2alpha-Hydroxyalantolactone
2alpha-Hydroxyalantolactone is found in herbs and spices. 2alpha-Hydroxyalantolactone is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 2alpha-Hydroxyalantolactone is found in herbs and spices.
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.
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].
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
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
(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]
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
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.
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
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
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
Ethyl 2,3-O-isopropylidene-1-thio-a-L-rhamnopyranoside
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
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
2-(1-(4-FLUOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanamine
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
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
2-N-(2-phenylethyl)benzene-1,2-diamine,hydrochloride
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
6,7-dimethoxy-N~2~,N~2~-dimethylquinazoline-2,4-diamine
5-Acrylamido-2-((dimethylamino)methyl)phenylboronic acid
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
1-(2-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
1-(3-Methoxyphenyl)-4-oxocyclohexanecarboxylic acid
ethyl 3-[4-(1,3-dioxolan-2-yl)phenyl]prop-2-enoate
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
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
(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
Atractylenolide-III
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.
(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.
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
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
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.
3-amino-5-(1-naphthalenylmethyl)-1H-pyrazole-4-carbonitrile
3-ethyl-5-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-4H-1,2,4-triazol-4-amine
N-hydroxyhexahomomethioninate
Conjugate base of N-hydroxyhexahomomethionine.
(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
1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
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
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.
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.
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
{4,4-dimethyl-4ah,5h,6h,8ah,9h-naphtho[2,3-b]furan-7-yl}methanethiol
8-(furan-3-yl)-3,7-dimethyl-2,9-dioxatricyclo[5.3.0.0¹,³]decan-10-one
4-{n-[(2s)-1,1-dihydroxy-3-methylbutan-2-yl]-(c-hydroxycarbonimidoyl)amino}butanoic acid
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
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
3,4,5-trihydroxy-6-methyloxan-2-yl 3-methylbutanoate
7-hydroxy-4-isopropyl-3-methoxy-6-methylchromen-2-one
2-(hydroxymethyl)-6-[(2-methylbut-3-en-2-yl)oxy]oxane-3,4,5-triol
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
3,7-Dimethyl-6,7-di(methylthio)octanal
{"Ingredient_id": "HBIN007799","Ingredient_name": "3,7-Dimethyl-6,7-di(methylthio)octanal","Alias": "NA","Ingredient_formula": "C12H24OS2","Ingredient_Smile": "CC(CCC(C(C)(C)SC)SC)CC=O","Ingredient_weight": "248.5 g/mol","OB_score": "44.73114344","CAS_id": "NA","SymMap_id": "SMIT05527","TCMID_id": "NA","TCMSP_id": "MOL003464","TCM_ID_id": "NA","PubChem_id": "6421485","DrugBank_id": "NA"}
(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"}
