Exact Mass: 250.1429688
Exact Mass Matches: 250.1429688
Found 500 metabolites which its exact mass value is equals to given mass value 250.1429688,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paucine
N-caffeoylputrescine is a N-substituted putrescine. It is a conjugate base of a N-caffeoylputrescinium(1+). N-Caffeoylputrescine is a natural product found in Iochroma cyaneum, Solanum tuberosum, and Selaginella moellendorffii with data available. Paucine is found in avocado. Paucine is an alkaloid from the famine food Pentaclethra macrophylla and from Persea gratissima (avocado Alkaloid from the famine food Pentaclethra macrophylla and from Persea gratissima (avocado). Paucine is found in avocado and fruits.
Gemfibrozil
A lipid-regulating agent that lowers elevated serum lipids primarily by decreasing serum triglycerides with a variable reduction in total cholesterol. These decreases occur primarily in the VLDL fraction and less frequently in the LDL fraction. Gemfibrozil increases HDL subfractions HDL2 and HDL3 as well as apolipoproteins A-I and A-II. Its mechanism of action has not been definitely established. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5593; ORIGINAL_PRECURSOR_SCAN_NO 5591 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5614; ORIGINAL_PRECURSOR_SCAN_NO 5613 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5641; ORIGINAL_PRECURSOR_SCAN_NO 5637 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5627; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5626; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 448; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5624; ORIGINAL_PRECURSOR_SCAN_NO 5622 C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065687 - Cytochrome P-450 CYP2C8 Inhibitors C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents CONFIDENCE standard compound; INTERNAL_ID 4077 CONFIDENCE standard compound; INTERNAL_ID 2691 D009676 - Noxae > D000963 - Antimetabolites Gemfibrozil is an activator of PPAR-α, used as a lipid-lowering agent; Gemfibrozil is also a nonselective inhibitor of several P450 isoforms, with Ki values for CYP2C9, 2C19, 2C8, and 1A2 of 5.8, 24, 69, and 82 μM, respectively.
Arbusculin A
A sesquiterpene lactone isolated from Saussureae Radix and has been shown to exhibit inhibitory activity against melanogenesis.
Piperdial
Piperdial is found in mushrooms. Piperdial is a constituent of Lactarius piperatus Constituent of Lactarius piperatus. Piperdial is found in mushrooms.
2-cis,4-trans-xanthoxin
2-cis,4-trans-xanthoxin, also known as xanthoxin, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-cis,4-trans-xanthoxin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2-cis,4-trans-xanthoxin can be found in a number of food items such as broad bean, canola, mustard spinach, and hickory nut, which makes 2-cis,4-trans-xanthoxin a potential biomarker for the consumption of these food products. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Abscisic alcohol
Abscisic alcohol is found in fruits. Abscisic alcohol is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol is found in fruits.
Heptabarbital
Heptabarbital is only found in individuals that have used or taken this drug. It is an intermediate or short term barbiturate used mainly for sedation and hypnosis.Heptabarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Heptabarbital also appears to bind neuronal nicotinic acetylcholine receptors. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
1-Deoxy-11beta-hydroxypentalenate
Pentalenate
(2R,5R,8S,9R)-9-Hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is a sesquiterpenoid.
6alpha-hydroxy-germacra-1(10),4,11(13)-trien-12-oate
2-Ethylhexylparaben
CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5047; ORIGINAL_PRECURSOR_SCAN_NO 5044 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5052; ORIGINAL_PRECURSOR_SCAN_NO 5050 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5050; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5060; ORIGINAL_PRECURSOR_SCAN_NO 5057 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5067; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 762; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5044; ORIGINAL_PRECURSOR_SCAN_NO 5041
2-[(1R,3E,7E,10S)-10-Hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Valerenolic acid
Constituent of the roots of Valeriana officinalis (valerian). Valerenolic acid is found in tea, fats and oils, and herbs and spices. Valerenolic acid is found in fats and oils. Valerenolic acid is a constituent of the roots of Valeriana officinalis (valerian).
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide is found in giant butterbur. (6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-7(11)-eremophilen-12,8a-olide is found in giant butterbur and green vegetables.
Procurcumadiol
Procurcumadiol is found in herbs and spices. Procurcumadiol is a constituent of Curcuma longa (turmeric) Constituent of Curcuma longa (turmeric). Procurcumadiol is found in turmeric and herbs and spices.
Lactaronecatorin A
Lactaronecatorin A is found in mushrooms. Lactaronecatorin A is a constituent of Lactarius blennius (slimy milk cap). Constituent of Lactarius blennius (slimy milk cap). Lactaronecatorin A is found in mushrooms.
Ketosantalic acid
Ketosantalic acid is a flavouring ingredient. Ketosantalic acid is a constituent of Indian sandalwood oi Flavouring ingredient. Constituent of Indian sandalwood oil
Blennin A
Blennin A is found in mushrooms. Blennin A is a constituent of Lactarius blennius (slimy milk cap) Constituent of Lactarius blennius (slimy milk cap). Blennin A is found in mushrooms.
13-Hydroxymarasmene
14-Hydroxymarasmene is found in mushrooms. 14-Hydroxymarasmene is a metabolite of Marasmius oreades (fairy ring mushroom
Ketopelenolide a
From Artemisia absinthium (wormwood). Ketopelenolide a is found in alcoholic beverages and herbs and spices. Ketopelenolide b is found in alcoholic beverages. Ketopelenolide b is from Artemisia absinthium (wormwood).
Cadabicilone
Cadabicilone is found in fruits. Cadabicilone is a constituent of the famine food Cadaba farinosa (luqata sigmama). Constituent of the famine food Cadaba farinosa (luqata sigmama). Cadabicilone is found in fruits.
(3beta,6beta)-Furanoeremophilane-3,6-diol
(3beta,6beta)-Furanoeremophilane-3,6-diol is found in giant butterbur. (3beta,6beta)-Furanoeremophilane-3,6-diol is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Furanofukinol is found in giant butterbur and green vegetables.
3-Hydroxytrichothecene
3-Hydroxytrichothecene is isolated from Fusarium sp. Dec. produced of Trichotriol
Heliannuol A
Heliannuol A is found in fats and oils. Heliannuol A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Heliannuol A is found in sunflower and fats and oils.
Heliannuol D
Heliannuol D is found in fats and oils. Heliannuol D is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Heliannuol D is found in sunflower and fats and oils.
3beta-Hydroxycinnamolide
3beta-Hydroxycinnamolide is found in mushrooms. 3beta-Hydroxycinnamolide is a constituent of Marasmius oreades (fairy ring mushroom). Constituent of Marasmius oreades (fairy ring mushroom). 3beta-Hydroxycinnamolide is found in mushrooms.
Isopentyl beta-D-glucoside
Isopentyl beta-D-glucoside is found in herbs and spices. Isopentyl beta-D-glucoside is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). Isopentyl beta-D-glucoside is found in herbs and spices.
4-Coumaroyl-2-hydroxyputrescine
4-Coumaroyl-2-hydroxyputrescine is found in cereals and cereal products. 4-Coumaroyl-2-hydroxyputrescine is an alkaloid from Triticum aestivum (wheat). Alkaloid from Triticum aestivum (wheat). 4-Coumaroyl-2-hydroxyputrescine is found in wheat and cereals and cereal products.
FS4 toxin
FS4 toxin is from Fusarium sporotrichioides and Fusarium sambucinum. From Fusarium sporotrichioides and Fusarium sambucinum
3-Ketoapotrichothecene
3-Ketoapotrichothecene is a mycotoxin from Fusarium sambucinum. Mycotoxin from Fusarium sambucinum
3beta-Dihydroxymarasmene
3beta-Dihydroxymarasmene is found in mushrooms. 3beta-Dihydroxymarasmene is a metabolite of Marasmius oreades (fairy ring mushroom
(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide
(3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide is found in green vegetables. (3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-7(11)-eremophilen-12,8b-olide is found in green vegetables.
1-Hydroxyacorenone
1-Hydroxyacorenone is found in herbs and spices. 1-Hydroxyacorenone is a constituent of Acorus calamus (sweet flag) Constituent of Acorus calamus (sweet flag). 1-Hydroxyacorenone is found in herbs and spices and root vegetables.
3-Hydroxymelatonin
3-Hydroxymelatonin 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)
Ethylhexyl salicylate
Ethylhexyl salicylate, or octyl salicylate, is an organic compound used as an ingredient in sunscreens and cosmetics to absorb UVB (ultraviolet) rays from the sun. It is an ester formed by the condensation of a salicylic acid with 2-ethylhexanol. It is a colorless oily liquid with a slight floral odor.
3,5-Di-tert-butyl-4-hydroxybenzoic acid
3,5-Di-tert-butyl-4-hydroxybenzoic acid, also known as BHT-COOH or 4-carboxy-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. BHT-COOH is a metabolite of 2,6-di-tert-butyl-4-methylphenol (BHA), a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHT-OH was detected in human urine (PMID: 31265952). D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Ipomoeamarone
Ipomoeamarone, also known as ipomeamarone, (2r-cis)-isomer or ngaione, is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Ipomoeamarone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ipomoeamarone can be found in sweet potato, which makes ipomoeamarone a potential biomarker for the consumption of this food product.
5-Hydroxyprocurcumenol
5-hydroxyprocurcumenol is a member of the class of compounds known as guaianes. Guaianes are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. 5-hydroxyprocurcumenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxyprocurcumenol can be found in turmeric, which makes 5-hydroxyprocurcumenol a potential biomarker for the consumption of this food product.
Dihydroparthenolide
Dihydroparthenolide is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Dihydroparthenolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydroparthenolide can be found in sweet bay, which makes dihydroparthenolide a potential biomarker for the consumption of this food product.
(S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside
(s)-2-methyl-1-butanol o-beta-d-glucopyranoside is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol (s)-2-methyl-1-butanol o-beta-d-glucopyranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-methyl-1-butanol o-beta-d-glucopyranoside can be found in tea, which makes (s)-2-methyl-1-butanol o-beta-d-glucopyranoside a potential biomarker for the consumption of this food product.
Nardosinone
Nardosinone is a natural product found in Nardostachys jatamansi with data available. Nardosinone, isolated from Nardostachys chinensis, is the first enhancer of the neuritogenic action of dbcAMP and staurosporine. Nardosinone may become a useful pharmacological tool for studying the mechanism of action of not only nerve growth factor (NGF) but also both the neuritogenic substances[1]. Nardosinone, isolated from Nardostachys chinensis, is the first enhancer of the neuritogenic action of dbcAMP and staurosporine. Nardosinone may become a useful pharmacological tool for studying the mechanism of action of not only nerve growth factor (NGF) but also both the neuritogenic substances[1].
Carabrol
9beta-Hydroxycostic acid
[4aR-(4aalpha,5alpha,8aalpha,9aalpha)]- 4a,5,6,7,8,8a,9,9a-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Artesin
[1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester
7-Hydroxy-10-dehydroxydeacetyldihydrobotrydial-1(10),5(9)-diene
[2R-(2alpha,4aalpha,5beta,8abeta)]-Decahydro-5-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid
[1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione
11S,13-Dihydrotessaric acid
Dihydroreynosin
Artepaulin
Herbolide G
Heterophyllol
Versicolactone B
A sesquiterpene lactone with formula C15H22O3 that is isolated from Viola yedoensis and Aristolochia versicolor.
2beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
Septuplinolide
[2R-(2alpha,4aalpha,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroxy-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
Viscic acid
3beta-Hydroxy-9,11(13)-eremophiladien-12-oic acid
3beta-Hydroxy-4beta,15,11a,13-tetrahydrodehydrocostuslactone
Lychnocolumnic acid
[3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-6-Ethenylhexahydro-5-[1-(hydroxymethyl)ethenyl]-3,6-dimethyl-(3H)-benzofuranone
Sambucoin
1,7-Dimethyl-5-vinyl-9,10-dihydrophenanthrene-2-ol
trans-(+)-3,4,4a,5,6,7,8,8a-Octahydro-5,5,8a-trimethyl-3-oxo-2-naphthalenecarboxylic acid methyl ester
3alpha-Hydroxyfuroepaltol
cis-1,2,3,4,4a,5,6,7-Octahydro-8-(hydroxymethyl)-4a-methyl-alpha-methylene-2-naphthaleneacetic acid
2,4-Dimethyl-2,6-bis(hydroxymethyl)indan-5-ethanol
3beta-Hydroxy-11beta,13-dihydro-desoxo-achalensolide
3-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-5-hydroxy-2(5H)-furanone
Pentalenic acid
A tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and position 1 is substituted by a hydroxy group.
3,5-Di-tert-butyl-4-hydroxybenzoic acid
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Lacosamide (racemate)
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators
2-[(3S)-3-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
2-[(2S,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(+)-(1R,4S)-(2Z,4E)-4-Hydroxy-alpha-ionylideneacetic acid|(1R),4S-hydroxy-alpha-ionylideneacetic acid
(3aS,6S,9S,9aS,9bR)-3a,4,5,6,8,9,9a,9b-octahydro-9-hydroxy-3,6,9a-trimethylazuleno[4,5-b]furan-2(3H)-one
(4S*,7R*,8R*,11R*)-3-Oxogermacr-1(10)E-en-8,12-olide
1beta-hydroxy-eudesma-4,11(13)-dien-12-oic acid|1beta-hydroxyeudesma-4,11(13)-dien-12-oic acid
5beta,12-dihydroxy-6(14)-dehydro-5,6-dihydrocaryophyllen-7-one
(S,all-E)-3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol|3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol
flavalin B
A sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava, and has been shown to exhibit neuroprotective activity.
(-)-(1S,3R)-(2E,4E)-3-hydroxy-gamma-ionylideneacetic acid|(1S,2E,3R,4E)-5-(3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid|(2E,4E)-(1S,3R)-3-hydroxy-gamma-ionylideneacetic acid
1-alpha-hydroxy-7-drimen-12,11-olide|nebularilactone B
11alpha,13-dihydro-2a-hydroxyalantolactone|2alpha-hydroxy-11alpha,13-dihydroalantolactone
1-methylene-19-nor-dasycarpid-17-ene|6-methylene-12-vinyl-2,3,4,5,6,7-hexahydro-1H-1,5-methano-azocino[4,3-b]indole|Dehydro-des-N-methyl-ulein
4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
5-(hydroxymethyl)-2-(7-hydroxy-6-methylhept-2-en-2-yl)phenol
(4aR*,5R*,8aR*,9aR*)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha,8alpha(H)-eudesm-7(11)-en-8,12-olide
3-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
(2S,4aR,8aS)-decahydro-alpha,4alpha-dimethyl-8-methylene-3-oxonaphthalene-2-acetic acid|(7alpha)-8-oxoeudesm-4(14)-en-12-oic acid
6alpha-hydroxy-11alphaH-germacra-1(10)E,4E-dien-12,8alpha-olide
11beta,13-dihydro-14-hydroxycostunolide|14-hydroxy-11beta,13-dihydro-dehydrocostunolide
(1R,2R,3aR,4S,7aS)-1-hydroxy-3a,4-dimethyl-4-methylenedecahydro-2H-spiro[furan-3,2-inden]-2-one|bakkenolide S|bakkenolide-S
(1R,4aS,6S,7aR)-(+)-3-ethenyl-6-hydroxy-1,4-dimethyl-6-(1-methylethyl)-7,7a-dihydrocyclopenta[c]pyran-5(1H,4aH,6H)-one|hodgsonox C
6-hydroxy-11-hydroxymethyl-11-methyl-7-methylenebicyclo[8.1.0]undec-2-ene-3-carbaldehyde|madolin Y
(1beta,11beta)-11,13-dihydro-1-hydroxyalantolactone|1beta-hydroxy-4alpha,11alphaH-eudesma-5-en-12,8beta-olide|1??-Hydroxy-4??,11??-eudesma-5-en-12,8??-olide
1,2,3,4-Tetrahydro-ellipticin|1,2,3,4-Tetrahydroellipticin|1,2,3,4-Tetrahydroellipticine|5,11-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]carbazole|5,11-dimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole|tetrahydro-ellipticine|tetrahydroellipticine
(3S,6S)-3-((1H-imidazol-4-yl)methyl)-6-isobutylpiperazine-2,5-dione|cis-cyclo-(His-Leu)|cyclo-(L-leucyl-L-histidyl)
(13S)-13-Methyl-(13r,14t)-11,12,13,14,15,16-hexahydro-cyclopenta[a]phenanthren-17-on|(13S)-13-methyl-(13r,14t)-11,12,13,14,15,16-hexahydro-cyclopenta[a]phenanthren-17-one|Oestrapentaen-(A.B)-on-(17)
1-methylene-19-nor-dasycarpid-3(18)-ene|12-ethylidene-6-methylene-2,3,4,5,6,7-hexahydro-1H-1,5-methano-azocino[4,3-b]indole|Dehydro-des-N-methyl-ulein
Normianserin
CONFIDENCE standard compound; INTERNAL_ID 2229 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3277
Lacosamide
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3627
4-Coumaroylcholine
[C14H20NO3]+ (250.14431100000002)
IPB_RECORD: 234; CONFIDENCE confident structure
N-(4-[1,3]DIOXOLAN-2-YL-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE
2,2-[[(5-Methyl-1H-benzotriazol-1-yl)methyl]imino]bisethanol
tert-butyl 3-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
(S)-METHYL-(2-PYRROLIDINYLMETHYL)-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
(2S,4S)-Benzyl 2-(aminomethyl)-4-hydroxy-pyrrolidine-1-carboxylate
Bis[4-methoxy(2H4)phenyl]methanone
C15H6D8O3 (250.14450682400002)
(S)-benzyl 3-(hydroxymethyl)piperazine-1-carboxylate
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
2,2,10,10-Tetramethyl-3,6,9-trioxa-2,10-disilaundecane
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
C14H22O2Si (250.13889920000003)
(4-(Diisopropylcarbamoyl)pyridin-3-yl)boronic acid
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
C14H22O2Si (250.13889920000003)
tert-butyl 3-pyridin-4-yloxyazetidine-1-carboxylate
3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone
Ethanone, 1-(1,9-diazaspiro[5.5]undec-1-yl)-2,2,2-trifluoro
C11H17F3N2O (250.12929079999998)
Ethanone, 1-(2,9-diazaspiro[5.5]undec-9-yl)-2,2,2-trifluoro
C11H17F3N2O (250.12929079999998)
tert-Butyl (piperidin-3-ylmethyl)carbamate hydrochloride
(2-HYDROXY-5-METHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-
tert-Butyl 3-(methylamino)piperidine-1-carboxylate hydrochloride
tert-Butyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
tert-Butyl 4-(methylamino)piperidine-1-carboxylate hydrochloride
TERT-BUTYL METHYL(PIPERIDIN-4-YL)CARBAMATE HYDROCHLORIDE
Benzyl cis-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate
2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
N-[3-(1,3-dioxolan-2-yl)pyridin-4-yl]-2,2-dimethylpropanamide
2,2-dimethyl-N-(3-trimethylsilylpyridin-2-yl)propanamide
C13H22N2OSi (250.15013219999997)
2,2-dimethyl-N-(3-trimethylsilylpyridin-4-yl)propanamide
C13H22N2OSi (250.15013219999997)
Verofylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Amfetaminil
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
4-((Tert-ButyldiMethylsilyloxy)Methyl)benzaldehyde
C14H22O2Si (250.13889920000003)
(4-fluorophenyl) 4-ethylcyclohexane-1-carboxylate
C15H19FO2 (250.13690060000002)
TERT-BUTYL 6-FORMYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2(1H)-CARBOXYLATE
6-Amino-5-methoxypyridine-3-boronic acid pinacol ester
tert-Butyl 2-oxo-1,2,7,8-tetrahydro-1,6-naphthyridine-6(5H)-carboxylate
tert-butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
(R)-tert-Butyl (piperidin-2-ylmethyl)carbamate hydrochloride
6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine,2,8-dimethyl-
ethyl 2-[(2-methoxy-5-methylphenyl)hydrazinylidene]propanoate
3-Amino-2-methoxypyridine-5-boronic acid pinacol ester
2,2-[[(Methyl-1H-benzotriazol-1-yl)methyl]imino]bis-ethanol
benzyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
B-[4-(trans-4-Ethylcyclohexyl)-2-fluorophenyl]boronic acid
C14H20BFO2 (250.15403020000005)
(2S,5R)-1-Boc-2,5-dimethylpiperazine hydrochloride
3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
2-(2-fluoro-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BFO2 (250.15403020000005)
(R)-tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-tert-Butyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
(S)-tert-Butyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
tert-Butyl (piperidin-4-ylmethyl)carbamate hydrochloride
1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
t-2-(3-(4-t-bu.-phenyl)-2-me-2-propenyl&
tert-Butyl 2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
N-(2,3-DIMETHYL-4-NITROPHENYL)-2,2-DIMETHYLPROPIONAMIDE
N-(2,3-Dimethyl-6-nitrophenyl)-2,2-dimethylpropanamide
Trimethylsilyl 4-tert-butylbenzoate
C14H22O2Si (250.13889920000003)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-7-methyl-4-oxo-, ethyl ester
Valerophenone, 4-(trimethylsiloxy)-
C14H22O2Si (250.13889920000003)
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8-tetrahydro-1,6-dimethyl-4-oxo-, ethyl ester
3-Oxa-9,14,15,16-tetrazatricyclo[12.2.1.05,9]heptadeca-1(17),15-dien-10-one
(9-Methyldecyl)sulfamate
C11H24NO3S- (250.14768139999998)
An organic sulfamate oxoanion that is the conjugate base of (9-methyldecyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
4-Butylbenzoic acid trimethylsilyl ester
C14H22O2Si (250.13889920000003)
Methyl 2,3,4,6,-tetra-ortho-[D3]methyl-A-D-mannoside-D12
(2S,4R,5R)-2-methoxy-3,4,5-tris(trideuteriomethoxy)-6-(trideuteriomethoxymethyl)oxane
Paucine
N-caffeoylputrescine is a N-substituted putrescine. It is a conjugate base of a N-caffeoylputrescinium(1+). N-Caffeoylputrescine is a natural product found in Iochroma cyaneum, Solanum tuberosum, and Selaginella moellendorffii with data available.
Heptabarbital
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
ALDH3A1-IN-1
ALDH3A1-IN-1 (Compound 18) is a potent inhibitor of ALDH3A1 with an IC50 of 1.61 μM. ALDH3A1-IN-1 is more potent than DEAB against patient-derived primary prostate tumor epithelial cells, as single agents or in combination research with docetaxel[1].
ZLN005
ZLN005 is a potent activator of peroxisome proliferator-activated receptor-γ coactivator-1α (PGC-1α)[1].
methyl (2e)-3-{5-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-3-methylimidazol-4-yl}prop-2-enoate
(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
[C14H20NO3]+ (250.14431100000002)
2-[n'-(2-hydroxy-2-methylpropyl)ethanimidamido]benzoic acid
(1s,5s,6s)-4-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-7-oxa-1λ⁵-azatricyclo[4.2.2.0¹,⁵]dec-3-en-1-ylium
[C14H20NO3]+ (250.14431100000002)
(2e)-n-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid
(1r,5s,6r)-4-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-7-oxa-1λ⁵-azatricyclo[4.2.2.0¹,⁵]dec-3-en-1-ylium
[C14H20NO3]+ (250.14431100000002)
2-(hydroxymethyl)-6-(pentan-2-yloxy)oxane-3,4,5-triol
methyl 3-[5-(4-hydroxy-3-methylbut-2-en-1-yl)-3-methylimidazol-4-yl]prop-2-enoate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
3-(5-hydroxyhex-2-enimidoyl)-5-(propan-2-ylidene)pyrrole-2,4-diol
7-ethenyl-1,6-dimethyl-9,10-dihydrophenanthren-2-ol
3-[(2z)-5-hydroxyhex-2-enimidoyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
6-ethenyl-1,7-dimethyl-9,10-dihydrophenanthren-2-ol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2s)-pentan-2-yloxy]oxane-3,4,5-triol
(1r,5r,6r)-4-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-7-oxa-1λ⁵-azatricyclo[4.2.2.0¹,⁵]dec-3-en-1-ylium
[C14H20NO3]+ (250.14431100000002)
methyl (2e)-3-{5-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-1-methylimidazol-4-yl}prop-2-enoate
methyl 3-[5-(4-hydroxy-3-methylbut-2-en-1-yl)-1-methylimidazol-4-yl]prop-2-enoate
2-[(2e)-4-hydroxypent-2-en-2-yl]-1h,6h,7h,9h,9ah-pyrido[1,2-a]pyrimidine-4,8-dione
{3-[(3-phenylprop-2-en-1-yl)oxy]prop-1-en-1-yl}benzene
3-[(2e,5s)-5-hydroxyhex-2-enimidoyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2s)-2-methylbutoxy]oxane-3,4,5-triol
(2r,3s,4s,5r)-2,5-bis(hydroxymethyl)-2-(pentyloxy)oxolane-3,4-diol
n-(7a-hydroxy-5-methyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl)-3-methylbut-2-enamide
5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthren-2-ol
(1s,5r,6s)-4-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-7-oxa-1λ⁵-azatricyclo[4.2.2.0¹,⁵]dec-3-en-1-ylium
[C14H20NO3]+ (250.14431100000002)