Exact Mass: 198.1408428
Exact Mass Matches: 198.1408428
Found 500 metabolites which its exact mass value is equals to given mass value 198.1408428,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
7-Isopropyl-1,4-dimethylazulene
Guaiazulene is a sesquiterpene. It derives from a hydride of a guaiane. Guaiazulene is a natural product found in Mikania cordifolia, Santolina corsica, and other organisms with data available. obtained from essential oils, e.g. chamomile oil. 7-Isopropyl-1,4-dimethylazulene is found in many foods, some of which are fats and oils, fig, german camomile, and tea. 7-Isopropyl-1,4-dimethylazulene is found in fats and oils. 7-Isopropyl-1,4-dimethylazulene is obtained from essential oils, e.g. chamomile oil. S - Sensory organs > S01 - Ophthalmologicals Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2]. Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2].
Tacrine
Tacrine is only found in individuals that have used or taken this drug. It is a centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimers disease and other central nervous system disorders. [PubChem]The mechanism of tacrine is not fully known, but it is suggested that the drug is an anticholinesterase agent which reversibly binds with and inactivates cholinesterases. This inhibits the hydrolysis of acetylcholine released from functioning cholinergic neurons, thus leading to an accumulation of acetylcholine at cholinergic synapses. The result is a prolonged effect of acetylcholine. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors KEIO_ID A123
4,4'-Methylenedianiline
4,4’-Methylenedianiline (MDA) is an industrial chemical that is produced and used industrially as a precursor to polyamides, epoxy resins, and polyurethane foams (PMID: 20621954). It is a primary aromatic amine, belonging to the family of compounds known as Diphenylmethanes. Diphenylmethanes are compounds consisting of methane with two of the hydrogen atoms replaced by phenyl groups. MDA is used mainly as a precursor to 4,4 ́-methylene diphenyl diisocyanate (MDI), which is a precursor to many polyurethane foams. To generate MDI, which is a highly reactive isocyanate, MDA is treated with phosgene. Workers exposed to MDI may develop sensitization, leading to occupational asthma. MDI is metabolized in the body and secreted in the urine as MDA, Therefore MDA is a urinary biomarker of MDI exposure. On its own, MDA is a known animal carcinogen, and human hepatotoxin. MDA produces genotoxic effects by forming DNA adducts in the liver and inducing DNA damage to hepatocytes (PMID: 32038824). The Occupational Safety and Health Administration has set a permissible exposure limit at 0.01 ppm over an eight-hour time-weighted average, and a short-term exposure limit at 0.10 ppm. D009676 - Noxae > D002273 - Carcinogens
(±)-Citronellyl acetate
(±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
Slaframine
An indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1.
(±)-Menthyl acetate
(±)-menthyl acetate, also known as dl-P-menth-3-yl acetate, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes (±)-menthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-menthyl acetate can be found in cornmint, which makes (±)-menthyl acetate a potential biomarker for the consumption of this food product. (±)-Menthyl acetate is found in cornmint. (±)-Menthyl acetate is a component of peppermint oil. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
trans-Dodec-2-enoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. trans-Dodec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-Dodec-2-enoic acid is converted from (R)-3-Hydroxydodecanoic acid via two enzymes; fatty-acid Synthase and 3-Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. trans-Dodec-2-enoic acid is an intermediate in fatty acid biosynthesis. Specifically, trans-Dodec-2-enoic acid is converted from (R)-3-Hydroxydodecanoic acid via two enzymes; fatty-acid Synthase and 3-Hydroxypalmitoyl- [acyl-carrier-protein] dehydratase (EC: 2.3.1.85 and EC: 4.2.1.61).
(+)-Neomenthyl acetate
(+)-neomenthyl acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes (+)-neomenthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-neomenthyl acetate can be found in orange mint and peppermint, which makes (+)-neomenthyl acetate a potential biomarker for the consumption of these food products.
xi-5-Dodecanolide
Xi-5-dodecanolide, also known as (+/-)-6-heptyltetrahydro-2h-pyran-2-one or (+/-)-delta-heptyl-delta-valerolactone, is a member of the class of compounds known as delta valerolactones. Delta valerolactones are cyclic organic compounds containing an oxan-2- one moiety. Thus, xi-5-dodecanolide is considered to be a fatty ester lipid molecule. Xi-5-dodecanolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xi-5-dodecanolide can be found in alcoholic beverages, fruits, herbs and spices, and milk and milk products, which makes xi-5-dodecanolide a potential biomarker for the consumption of these food products. xi-5-Dodecanolide is found in alcoholic beverages. xi-5-Dodecanolide is isolated from coconut oil, peach, raspberry, strawberry and other fruits, peppermint oil, cheeses, cooked meats and white wine.
xi-Dihydro-5-octyl-2(3H)-furanone
xi-Dihydro-5-octyl-2(3H)-furanone is found in alcoholic beverages. xi-Dihydro-5-octyl-2(3H)-furanone is present in orange peel oil, various fruits, kumquat peel oil, milk, cooked beef, raw cured pork, roasted peanut, coriander leaf, cheeses and unprocessed rice. xi-Dihydro-5-octyl-2(3H)-furanone is a flavouring ingredient. It is used in perfumery and flavour industries.
5-dodecenoate (12:1n7)
5Z-Dodecenoic acid, also known as 5-dodecenoic acid or 5-dodecenoate, is a monounsaturated fatty acid that has a C12 chain as a backbone and a cis double bond at the C5 position. 5-Dodecenoic acid 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. Thus, 5-dodecenoic acid is considered to be a fatty acid lipid molecule. 5-Dodecenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 5-dodecenoic acid is primarily located in the cytoplasm and in the membrane (predicted from logP). It can also be found in the extracellular space. An increase of 5-dodecenoic acid in plasma is associated with acyl-CoA dehydrogenase deficiency disorders (PMID: 7586519). 5-Dodecenoic acid is an intermediate of unsaturated fatty acid oxidation. 5-Dodecenoic acid is an intermediate of unsaturated fatty acid oxidation. An increase of 5-dodecenoic acid in plasma is associated with acyl-CoA dehydrogenase deficiency disorders. (PMID 7586519) [HMDB] cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
Rhodinyl acetate
Rhodinyl acetate is a flavouring ingredient. Flavouring ingredient
2-Hexenyl hexanoate
2-Hexenyl hexanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
11-Dodecenoic acid
11-Dodecenoic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Ethyl 4-decenoate
Ethyl 4-decenoate is a flavouring ingredient. Flavouring ingredient
Cadalene
Cadalene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cadalene is considered to be an isoprenoid lipid molecule. Cadalene can be found in a number of food items such as cloves, sugar apple, rosemary, and fig, which makes cadalene a potential biomarker for the consumption of these food products. Cadalene can be found primarily in saliva and urine. Cadalene exists in all eukaryotes, ranging from yeast to humans. Cadalene or cadalin (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants . Cadalene (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants. Cadalene, together with retene, simonellite and ip-iHMN, is a biomarker of higher plants, which makes it useful for paleobotanic analysis of rock sediments. The ratio of retene to cadalene in sediments can reveal the ratio of the genus Pinaceae in the biosphere. (Wikipedia)
Methyl 10-undecenoate
Methyl 10-undecenoate is a flavouring ingredient. [CCD Flavouring ingredient. [CCD]
cis-3-Hexenyl hexanoate
Constituent of tabasco peppers (Capsicum frutescens). Aroma component of green teaand is also present in orange peel oil, guava fruit, feijoa fruit, purple passion fruit and other fruits. Flavouring agent. cis-3-Hexenyl hexanoate is found in many foods, some of which are fruits, tea, citrus, and herbs and spices. cis-3-Hexenyl hexanoate is found in citrus. cis-3-Hexenyl hexanoate is a constituent of tabasco peppers (Capsicum frutescens). Aroma component of green tea. Also present in orange peel oil, guava fruit, feijoa fruit, purple passion fruit and other fruits. cis-3-Hexenyl hexanoate is a flavouring agent.
Allyl nonanoate
Allyl nonanoate is a flavouring ingredien Flavouring ingredient
Dibenzyl ether
Dibenzyl ether, also known as benzyl oxide or fema 2371, belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Dibenzyl ether is a sweet, almond, and cherry tasting compound. Dibenzyl ether has been detected, but not quantified, in dills. This could make dibenzyl ether a potential biomarker for the consumption of these foods. Flavouring ingredient. Dibenzyl ether is found in dill.
cis-4-Decenyl acetate
cis-4-Decenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2,6-Dimethyl-5-heptenal propyleneglycol acetal
2,6-Dimethyl-5-heptenal propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Citronellyl acetate
Citronellyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
5,5-Dibutyl-4,5-dihydro-2(3H)furanone
5,5-Dibutyl-4,5-dihydro-2(3H)furanone is a flavouring ingredien Flavouring ingredient
Methyl 9-undecenoate
Methyl 9-undecenoate is a flavouring ingredient with a brandy-like flavour. Flavouring ingredient with a brandy-like flavour
Ethyl 2-decenoate
Ethyl 2-decenoate is a flavouring agent. Flavouring agent
1-Ethenylhexyl butanoate
1-Ethenylhexyl butanoate is a flavouring ingredient. Flavouring ingredient
3-Heptyldihydro-5-methyl-2(3H)-furanone
3-Heptyldihydro-5-methyl-2(3H)-furanone is a flavouring ingredient. Flavouring ingredient
2-Octenyl butyrate
2-Octenyl butyrate is a flavouring ingredient. Flavouring ingredient
Hexyl 2E-hexenoate
Hexyl 2E-hexenoate is a flavouring ingredient. Flavouring ingredient
7-Hexyl-2-oxepanone
7-Hexyl-2-oxepanone is a food flavouring ingredient for candies, dairy products and soft drinks. Food flavouring ingredient for candies, dairy products and soft drinks
Hexyl 2-methyl-3-pentenoate
Hexyl 2-methyl-3-pentenoate is a flavouring ingredient. Hexyl 2-methyl-3-pentenoate is a component of *FEMA 3693* together with the 4-methyl isomer. Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer
Hexyl 2-methyl-4-pentenoate
Hexyl 2-methyl-4-pentenoate is a flavouring ingredient. Hexyl 2-methyl-4-pentenoate is a component of *FEMA 3693* used for flavouring chewing gum, confectionery and beverages. Flavouring ingredient. Component of *FEMA 3693* used for flavouring chewing gum, confectionery and beverages
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene is a flavouring ingredient. Flavouring ingredient
[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde
[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde is a flavouring ingredient. Flavouring ingredient
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
2,2'-Azobis(2-amidinopropane)
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
1-Phenyl-2-(pyridin-2-yl)ethanamine
(Rac)-Lanicemine ((Rac)-AZD6765) is the racemate of Lanicemine. Lanicemine (AZD6765) is a low-trapping NMDA channel blocker (Ki of 0.56-2.1?μM for NMDA receptor; IC50s of 4-7?μM and 6.4 μM in CHO and Xenopus oocyte cells, respectively). Antidepressant effects[1].
Hex-trans-2-enyl hexanoate
Hex-trans-2-enyl hexanoate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Hex-trans-2-enyl hexanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-2-enyl hexanoate can be found in tea, which makes hex-trans-2-enyl hexanoate a potential biomarker for the consumption of this food product.
Chamaviolin
Chamaviolin 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. Chamaviolin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chamaviolin can be found in german camomile, which makes chamaviolin a potential biomarker for the consumption of this food product.
1-Menthol acetate
1-menthol acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. 1-menthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-menthol acetate can be found in spearmint, which makes 1-menthol acetate a potential biomarker for the consumption of this food product.
Isomenthol acetate
Isomenthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isomenthol acetate can be found in peppermint and spearmint, which makes isomenthol acetate a potential biomarker for the consumption of these food products.
Neoisomenthol acetate
Neoisomenthol acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Neoisomenthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Neoisomenthol acetate can be found in peppermint, which makes neoisomenthol acetate a potential biomarker for the consumption of this food product.
dihydroterpinyl acetate
Flavouring compound [Flavornet]
cis-5-dodecenoic acid
cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
hydroxydihydrobovolide
2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-5-pentyl- is a natural product found in Phleum pratense, Gaeumannomyces, and Epichloe typhina with data available.
Menthyl acetate
?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
(2E,8Z,10E)-2,8,10-Pentadecatriene-4,6-diyne|2-trans-8-cis-10-trans-2,8,10-pentadecatriene-4,6-diyne|pentadeca-trans-2,cis-8,trans-10-triene-4,6-diyne
(E)-form-6-Tetradecene-8,10,12-triyn-3-one|6-Tetradecene-8,10,12-triyn-3-one|Artemisiaketon|Tetradec-6t-en-8,10,12-triin-3-on|tetradec-6t-ene-8,10,12-triyn-3-one|trans-Tetradecen-(8)-triin-(2.4.6)-on-(12)
9-(1,1-dimethylprop-2-enyloxy)non-trans-7-ene-1,3,5-triyne
(4S,5S)-5-(4-methyl-3-pentenyl)-4-hydroxy-5-methyldihydrofuran-2-one
4,6-Tetradecadiene-8,10,12-triyn-1-ol|all-trans-1-Hydroxy-tetradecadien-(4.6)-triin-(8.10.12)|tetradeca-4,6-dien-8,10,12-triyne-1-ol|tetradeca-4,6-diene-8,10,12-triyn-1-ol|tetradeca-4t,6t-diene-8,10,12-triyn-1-ol
(+)-(2E,6S)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid methyl ester|(2E,6S)-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|(6S)-2-trans-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|methyl (6S)-2-trans-6-hydroxy-2,6-dimethyl-2,7-octadienoate
3,4-Methylen-decansaeuremethylester|Cascarill-saeuremethylester|Cascarillicsaeure-methylester
Menthyl_acetate
(+/-)-Menthyl acetate is a p-menthane monoterpenoid. Menthyl acetate is a natural product found in Mentha canadensis with data available. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
(±)-Citronellyl acetate
Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It is functionally related to a citronellol. Citronellyl acetate is a natural product found in Mikania cordifolia, Cinnamomum sieboldii, and other organisms with data available. Citronellyl acetate is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Java citronella oil (part of). (±)-Citronellyl acetate, also known as b-citronellol acetic acid or cephrol acetate, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. (±)-Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. (±)-Citronellyl acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Constituent of citronella oil, orange juice, lemon juice and peel, grapefruit peel, swangi (Citrus hystrix), ginger, tarragon, myrtle leaf, West Indian lemongrass oil and beer. (±)-Citronellyl acetate is found in many foods, some of which are herbs and spices, carrot, wild carrot, and blackcurrant. A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
δ-Dodecalactone
[Raw Data] CB026_delta-Dodecalactone_pos_20eV_CB000013.txt [Raw Data] CB026_delta-Dodecalactone_pos_10eV_CB000013.txt
γ Dodecalactone
[Raw Data] CB027_gamma-Dodecalactone_pos_30eV_CB000014.txt [Raw Data] CB027_gamma-Dodecalactone_pos_20eV_CB000014.txt [Raw Data] CB027_gamma-Dodecalactone_pos_10eV_CB000014.txt
Pesticide3_Cycluron_C11H22N2O_3-Cyclooctyl-1,1-dimethylurea
5Z-dodecenoic acid
cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
Tacrine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6299; ORIGINAL_PRECURSOR_SCAN_NO 6297 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6327; ORIGINAL_PRECURSOR_SCAN_NO 6325 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6332; ORIGINAL_PRECURSOR_SCAN_NO 6331 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6338; ORIGINAL_PRECURSOR_SCAN_NO 6337 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6352; ORIGINAL_PRECURSOR_SCAN_NO 6351 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6355; ORIGINAL_PRECURSOR_SCAN_NO 6351
Terbuthylazine-TP CSCD648241 (LM6)
CONFIDENCE standard compound; UCHEM_ID 4175
5-Dodecenoate
cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
Methyl undecenate
A fatty acid methyl ester of 10-undecenoic acid.
Citronellyl acetate
Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1]. Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
(2S,4R,6R,8S)-2,4,8-Trimethyl-1,7-dioxaspiro-[5.5]undecane
(6R,8S)-2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane
4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER
4-(Ethenyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy
C11H20NO2 (198.14939600000002)
1-Cyclopentene-1-carboxylicacid,2-ethyl-4-hydroxy-3-methyl-,ethylester(9CI)
1H-Benzimidazole,2-(2-cyclopenten-1-ylmethyl)-(9CI)
METHYL-(4-PYRROLIDIN-1-YLMETHYL-TETRAHYDRO-PYRAN-4-YL)-AMINE
2-[5-(cyanomethyl)-1,3,5-trimethylcyclohex-3-en-1-yl]acetonitrile
Pyrrolo[1,2-a]pyrazine, 2-acetyloctahydro-6-methyl- (7CI)
tert-butyl 2,6-diazabicyclo[2.2.1]heptane-2-carboxylate
(S)-(-)-1-METHYL-2-(1-PIPERIDINOMETHYL)PYRROLIDINE
Silane, dicyclopentylmethoxy- (9CI)
C11H22OSi (198.14398419999998)
4,4,5,5-Tetramethyl-2-(tetrahydro-3-furanyl)-1,3,2-dioxaborolane
(Z)-2-(2-ETHOXYVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
tert-Butyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
4-AMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER
tert-Butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
2-({6-[(2-HYDROXYETHYL)AMINO]PYRIDAZIN-3-YL}AMINO)ETHAN-1-OL
2,3-Dihydro-5-methyl-1H-cyclopenta[b]quinolin-9-amine
(R)-(+)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE
tert-butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
2,3-Dihydro-7-methyl-1H-cyclopenta[b]quinolin-9-amine
ethyl 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetate
tert-Butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylate
(S,S)-(+)-N,N-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II)
1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide
methyl octahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
tert-butyl(1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
4-Pyridinecarbonitrile,1,2,3,6-tetrahydro-1-(phenylmethyl)-
methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
2-(dimethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate
3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)-
1-(1,1-difluoroethyl)-3-(1,1-dimethylethyl)- Benzene
1-(1,1-difluoroethyl)-4-(1,1-dimethylethyl)- Benzene
(S)-(3-aMinopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)Methanone
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
3,6-Diazaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester hemioxylate
(1R,5S,6s)-tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-amino-,1,1-dimethylethyl ester
2-Phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
tert-butyl N-{3-azabicyclo[3.1.0]hexan-6-yl}carbamate
Mebicar
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C78272 - Agent Affecting Nervous System Tetramethylglycerol (Tetramethylglycoluril) is a small molecule that acts on GABA Receptor, with anti-anxiety activity[1].
2-[1-(Diaminomethylidenehydrazinylidene)butan-2-ylideneamino]guanidine
Cyclohexanol, 1-methyl-4-(1-methylethyl)-, 1-acetate
D003358 - Cosmetics
N-[1-Carboxy-2-(1H-imidazole-5-yl)ethyl]trimethylaminium
C9H16N3O2+ (198.12424560000002)
4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one
2-Methyl-3-{2-methyl-1-[(2-methylprop-2-en-1-yl)oxy]propoxy}prop-1-ene
Azulol
S - Sensory organs > S01 - Ophthalmologicals Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2]. Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2].
(±)-Menthyl acetate
Component of peppermint oil. (±)-Menthyl acetate is found in many foods, some of which are herbs and spices, spearmint, cornmint, and ginger.
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2R,5R)-rel-
Ecgononium methyl ester(1+)
An organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3.
1-Methyl-2-trimethylsilyloxycyclohexene
C11H22OSi (198.14398419999998)
3-(Trimethylsilyl)methyl-1-hepten-4-one
C11H22OSi (198.14398419999998)
3,3-Dimethyl-2-trimethylsiloxyhexa-1,5-diene
C11H22OSi (198.14398419999998)
2-Methyl-3-(trimethylsilyloxy)hepta-2,4-diene
C11H22OSi (198.14398419999998)
2-Methyl-4-(trimethylsilylmethyl)-5-hexen-3-one
C11H22OSi (198.14398419999998)
6a-Methoxyoctahydro-2H-pentaleno[1,6-bc]furan-4-methanol
Menthyl acetate
?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1]. ?Menthyl acetate (L-Menthyl acetate) is a derivative of L-menthol. ?Menthyl acetate is effective to enhance 5-aminolevulinic acid (ALA) skin permeation[1].
cis-5-dodecenoic acid
The cis-stereoisomer of 5-dodecenoic acid. cis-5-Dodecenoic acid is an endogenous metabolite with inhibitory activities against COX-I and COX-II[1].
2,2-Azobis(2-amidinopropane)
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
gamma-Dodecalactone
A gamma-lactone that is oxolan-2-one substituted by an octyl group at position 5.
N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)
C9H16N3O2 (198.12424560000002)
A quaternary ammonium ion obtained by the protonation of the carboxy function of N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine.
ethyl (2E)-2-decenoate
A fatty acid ethyl ester obtained by the formal condensation of trans-2-decenoic acid with ethanol.