Exact Mass: 150.090542
Exact Mass Matches: 150.090542
Found 500 metabolites which its exact mass value is equals to given mass value 150.090542,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Umbellulone
Umbellulone is a ketone. (-)-Umbellulone is a natural product found in Tanacetum vulgare, Pimenta racemosa, and Umbellularia californica with data available.
5-Isopropyl-2-methylphenol
5-Isopropyl-2-methylphenol, also known as 2-hydroxy-p-cymene or 2-p-cymenol, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in the plastids. Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. 5-Isopropyl-2-methylphenol is a very hydrophobic molecule, practically insoluble in water, but fairly soluble in organic solvents. Thus, 5-Isopropyl-2-methylphenol is considered to be an isoprenoid lipid molecule. Thymol is found in the essential oil of thyme and in the essential oils of several different plants. It can be extracted from Thymus vulgaris (common thyme), Ajwain and various other kinds of plants as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. Thymol also provides the distinctive, strong flavor of the culinary herb thyme, also produced from T. vulgaris. Thymol has also been identified as a volatile compound found in cannabis samples obtained from police seizures (PMID:26657499 ). Carvacrol is a phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). It has a role as a volatile oil component, a flavouring agent, an antimicrobial agent, an agrochemical and a TRPA1 channel agonist. It is a member of phenols, a p-menthane monoterpenoid and a botanical anti-fungal agent. It derives from a hydride of a p-cymene. Carvacrol is a natural product found in Xylopia aromatica, Xylopia sericea, and other organisms with data available. Carvacrol is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Oregano Leaf Oil (part of). A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). Constituent of many essential oils. Especies found in the Labiatae. Thyme oil (=70\\\\%) and Origanum oil (=80\\\\%) are rich sources. Flavouring ingredient COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Carvacrol is a monoterpenoid phenol isolated from Thymus mongolicus Ronn., with antioxidant, anti-inflammatory and anticancer properties. Carvacrol causes cell cycle arrest in G0/G1, downregulates Notch-1, and Jagged-1, and induces apoptosis[1]. Carvacrol is a monoterpenoid phenol isolated from Thymus mongolicus Ronn., with antioxidant, anti-inflammatory and anticancer properties. Carvacrol causes cell cycle arrest in G0/G1, downregulates Notch-1, and Jagged-1, and induces apoptosis[1].
Verbinone
Verbenone, also known as verbenone, (1r)-isomer, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Verbenone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Verbenone is a camphor, celery, and menthol tasting compound and can be found in a number of food items such as spearmint, cabbage, white cabbage, and rosemary, which makes verbenone a potential biomarker for the consumption of these food products. Verbenone is a natural organic compound classified as a terpene that is found naturally in a variety of plants. The chemical has a pleasant characteristic odor. Besides being a natural constituent of plants, it and its analogs are insect pheromones. In particular, verbenone when formulated in a long-lasting matrix has an important role in the control of bark beetles such as the mountain pine beetle and the Southern pine bark beetle . 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one is a carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4. It is a carbobicyclic compound, a cyclic ketone and an enone. Verbenone is a natural product found in Eucalyptus fasciculosa, Eucalyptus intertexta, and other organisms with data available. Verbenone ((-)-Verbenone) is a natural terpene in leaves of the tree, Verbena officinalis[1]. Verbenone has anti-aggregation pheromone and interrupts the attraction of bark beetles to their aggregation pheromones[2]. Verbenone ((-)-Verbenone) is a natural terpene in leaves of the tree, Verbena officinalis[1]. Verbenone has anti-aggregation pheromone and interrupts the attraction of bark beetles to their aggregation pheromones[2].
Thymol
Thymol is a phenol that is a natural monoterpene derivative of cymene. It has a role as a volatile oil component. It is a member of phenols and a monoterpenoid. It derives from a hydride of a p-cymene. A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed) Thymol is a natural product found in Xylopia aromatica, Xylopia sericea, and other organisms with data available. A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent. See also: Paeonia lactiflora root (part of); Elymus repens root (part of); Eucalyptol; thymol (component of) ... View More ... Thymol is a phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. Thymol is a monoterpene phenol derivative of cymene, C10H13OH, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. It is also called "hydroxy cymene". In a 1994 report released by five top cigarette companies, thymol is one of the 599 additives to cigarettes. Its use or purpose, however, is unknown, like most cigarette additives. Found in many essential oils. Especies found in the Labiatae. Rich sources are thyme oil, seed oil of Ptychotis ajowan and oils of horsemint (Monarda punctata) and Ocimum subspecies Flavouring ingredient C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents A phenol that is a natural monoterpene derivative of cymene. Thymol is the main monoterpene phenol occurring in essential oils isolated from plants belonging to the Lamiaceae family, and other plants such as those belonging to the Verbenaceae, Scrophulariaceae, Ranunculaceae and Apiaceae families. Thymol has antioxidant, anti-inflammatory, antibacterial and antifungal effects[1]. Thymol is the main monoterpene phenol occurring in essential oils isolated from plants belonging to the Lamiaceae family, and other plants such as those belonging to the Verbenaceae, Scrophulariaceae, Ranunculaceae and Apiaceae families. Thymol has antioxidant, anti-inflammatory, antibacterial and antifungal effects[1].
Cuminyl alcohol
Cuminol or Cuminyl alcohol, also known as p-cumin-7-ol or 4-Isopropylbenzyl alcohol, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in the plastids (PMID:7640522 ). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Cuminol is an extremely weak basic (essentially neutral) compound (based on its pKa). Cuminol is an alcohol derivative of p-Cymene. It exists as a clear, colorless liquid that is poorly soluble in water. Cuminol can be used as a food additive or as a cosmetic fragrance. It has a cumin, caraway or spicy, herbal aroma and a similar spicy, herbal or peppery taste. Cuminol is found naturally in a number of plants, spices and foods including cumin seed and cumin oils, caraway eucalyptus oils, thyme, sunflowers, tuermeric, guava fruit and other spices and essential oils. Cumin, a widely used spice, is known to have anti-diabetic properties and two of its phytochemicals: cuminol and cuminaldehyde appear to be among the most active components. Cuminol is a potent insulinotrophic molecule that can enhance insulin secretion by up to 4-fold (in rat islet cells) (PMID:23507295 ). It also exhibits strong beta-cell protective action (PMID:23507295 ). 4-isopropylbenzyl alcohol is a member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group. It has a role as a fragrance, an insect repellent, a volatile oil component, a plant metabolite and a xenobiotic metabolite. It is a p-menthane monoterpenoid and a member of benzyl alcohols. It is functionally related to a p-cymene. 4-Isopropylbenzyl alcohol is a natural product found in Xylopia aromatica, Curcuma amada, and other organisms with data available. Flavouring ingredient. Isolated from oils of Cuminum cyminum (cumin). Cuminyl alcohol is found in many foods, some of which are sweet bay, sunflower, cumin, and herbs and spices. A member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group. 4-Isopropylbenzyl alcohol is a chemical composition of the essential oils from the leaves and flowers of Camellia nitidissima. C. nitidissima possess multiple biological activities including antioxidant activity, anticancer activity, and cytotoxicity as well as inhibiting the formation of advanced glycation end-products[1]. 4-Isopropylbenzyl alcohol is a chemical composition of the essential oils from the leaves and flowers of Camellia nitidissima. C. nitidissima possess multiple biological activities including antioxidant activity, anticancer activity, and cytotoxicity as well as inhibiting the formation of advanced glycation end-products[1].
Safranal
Safranal is found in fig. Safranal is a constituent of saffron (Crocus sativa). Safranal is a flavouring ingredient It is believed that safranal is a degradation product of the carotenoid zeaxanthin via the intermediacy of picrocrocin. Safranal is an effective anticonvulsant shown to act as an agonist at GABAA receptors. Safranal also exhibits high antioxidant and free radical scavenging activity, along with cytotoxicity towards cancer cells in vitro. It has also been shown to have antidepressant properties. Safranal is an organic compound isolated from saffron, the spice consisting of the stigmas of crocus flowers (Crocus sativus). It is the constituent primarily responsible for the aroma of saffron Safranal is a monoterpenoid formally derived from beta-cyclocitral by dehydrogenation. It is functionally related to a beta-cyclocitral. Safranal is a natural product found in Aspalathus linearis, Cistus creticus, and other organisms with data available. Constituent of saffron (Crocus sativa). Flavouring ingredient Safranal is an orally active main component of Saffron (Crocus sativus) and is responsible for the unique aroma of this spice. Safranal has neuroprotective and anti-inflammatory effects and has the potential for Parkinson’s disease research[1]. Safranal is an orally active main component of Saffron (Crocus sativus) and is responsible for the unique aroma of this spice. Safranal has neuroprotective and anti-inflammatory effects and has the potential for Parkinson’s disease research[1].
(R)-Menthofuran
Menthofuran is a monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. It has a role as a nematicide and a plant metabolite. It is a member of 1-benzofurans and a monoterpenoid. Menthofuran is a natural product found in Methanobacterium and Mentha pulegium with data available. Constituent of peppermint oil (Mentha piperita) and other Mentha subspecies as minor but essential organoleptic. It is used in peppermint oil formulations. (R)-Menthofuran is found in mentha (mint), orange mint, and herbs and spices. (R)-Menthofuran is found in herbs and spices. (R)-Menthofuran is a constituent of peppermint oil (Mentha piperita) and other Mentha species as minor but essential organoleptic. (R)-Menthofuran is used in peppermint oil formulations A monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6.
(R)-Carvone
Carvone, with R and S isomers, also known as carvol or limonen-6-one, belongs to the class of organic compounds known as menthane monoterpenoids. These 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. Carvone is a neutral compound. Carvone is a naturally occurring organic compound found in many essential oils but is most abundant in the oils from caraway seeds (Carum carvi), spearmint (Mentha spicata), and dill (PMID:27427817). Carvone is a volatile terpenoid found in cannabis plants (PMID:6991645 ). Carvone is occasionally found as a component of biological fluids in normal individuals. Both carvones (R, S) are used in the food and flavor industry (http//doi:10.1016/j.foodchem.2005.01.003). R-carvone is also used in air freshening products and in essential oils used in aromatherapy and alternative medicine. Caraway was used for medicinal purposes by the ancient Romans, but carvone was probably not isolated as a pure compound until Varrentrapp obtained it in 1841 (PMID:5556886 , 2477620 ). Carvone may help in the management of diseases (PMID:30374904) and had been considered as an adjuvant for treatment of cancer patients (PMID:30087792) and patients with epilepsy (PMID:31239862). It also has been successfully used as a biopesticide (PMID:30250476). (-)-carvone is a carvone having (R) configuration. It is an enantiomer of a (+)-carvone. (-)-Carvone is a natural product found in Poiretia latifolia, Licaria triandra, and other organisms with data available. See also: Myrrh (part of); Spearmint Oil (part of). Constituent of spearmint (Mentha crispa) costmary, kuromoji and other oils. Flavouring ingredient A carvone having (R) configuration. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2].
4-tert-Butylphenol
4-tert-Butylphenol, also known as butylphen or PTBP, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 4-tert-Butylphenol is a leather and oakmoss tasting compound. 4-tert-Butylphenol has been detected, but not quantified, in herbs and spices. 4-Tert-butylphenol is structurally similar to the melanin precursor tyrosine, and acts as a substrate for tyrosinase. 4-tert-Butylphenol is a potentially toxic compound. Tyrosinase oxidizes 4-tert-butylphenol to a quinone (4-tert-butylcyclohexa-3,5-diene-1,2-dione) which in turn rapidly reacts with glutathione (GSH). A depletion of the GSH defence system may allow the quinone to generate reactive oxygen species that damage melanocytes and induce apoptosis, leading to leukoderma/vitiligo.
(+)-Sabinone
(+)-sabinone is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, (+)-sabinone is considered to be an isoprenoid lipid molecule (+)-sabinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-sabinone can be found in common sage, which makes (+)-sabinone a potential biomarker for the consumption of this food product.
Piperitenone
Piperitenone is a flavouring agent. It is found in grapefruit juice lemon juice, orange juice, spearmint oil and peppermint oil. It is also found in rosemary, mentha (mint), cornmint, and other herbs and spices. Piperitenone is found in citrus. Piperitenone is a flavouring agent. Piperitenone is present in grapefruit juice lemon juice, orange juice, spearmint oil and peppermint oi
Perillyl aldehyde
(s)-perillaldehyde, also known as P-mentha-1,8-dien-7-al, 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. Thus, (s)-perillaldehyde is considered to be an isoprenoid lipid molecule (s)-perillaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (s)-perillaldehyde is a cherry, fat, and fatty tasting compound found in herbs and spices, which makes (s)-perillaldehyde a potential biomarker for the consumption of this food product (s)-perillaldehyde can be found primarily in saliva. Perillaldehyde, or perilla aldehyde, is a natural organic compound found most abundantly in the perennial herb perilla, but also in a wide variety of other plants and essential oils. It is a monoterpenoid containing an aldehyde functional group.
(-)-Pinocarvone
Pinocarvone, also known as (1)-2(10)-pinen-3-one or pina-2(10)-ene-3-one, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, pinocarvone is considered to be an isoprenoid lipid molecule. Pinocarvone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pinocarvone is a minty tasting compound found in hyssop, spearmint, and sweet bay, which makes pinocarvone a potential biomarker for the consumption of these food products. (-)-Pinocarvone is isolated from oil of Eucalyptus globulus (Tasmanian blue gum
Myrtenal
Occurs in orange, lemon, spearmint, pepper, thyme, juniper, calamus, ginger, myrtle, lemon balm, calabash, nutmeg, parsley seed and other plant oils. Myrtenal is found in many foods, some of which are peppermint, fruits, wild celery, and sweet bay. Myrtenal is found in cardamom. Myrtenal occurs in orange, lemon, spearmint, pepper, thyme, juniper, calamus, ginger, myrtle, lemon balm, calabash, nutmeg, parsley seed and other plant oils.
Eucarvone
Eucarvone is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain. Eucarvone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Eucarvone can be found in blackcurrant, which makes eucarvone a potential biomarker for the consumption of this food product.
N,N-Dimethyl-4-nitrosoaniline
CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2330; ORIGINAL_PRECURSOR_SCAN_NO 2329 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2326; ORIGINAL_PRECURSOR_SCAN_NO 2324 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2328; ORIGINAL_PRECURSOR_SCAN_NO 2327 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2338; ORIGINAL_PRECURSOR_SCAN_NO 2337 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2335; ORIGINAL_PRECURSOR_SCAN_NO 2331 CONFIDENCE standard compound; INTERNAL_ID 907; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2337; ORIGINAL_PRECURSOR_SCAN_NO 2335
ipsdienone
A member of the class of monoterpene ketones that is octa-2,7-dien-4-one substituted at positions 2 and 6 by methyl and methylidene groups respectively.
(S)-Carvone
Carvone, with R and S isomers, also known as carvol or limonen-6-one, belongs to the class of organic compounds known as menthane monoterpenoids. These 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. Carvone is a neutral compound. Carvone is a naturally occurring organic compound found in many essential oils but is most abundant in the oils from caraway seeds (Carum carvi), spearmint (Mentha spicata), and dill (PMID:27427817). Carvone is occasionally found as a component of biological fluids in normal individuals. Both carvones (R, S) are used in the food and flavor industry (http//doi:10.1016/j.foodchem.2005.01.003). R-carvone is also used in air freshening products and in essential oils used in aromatherapy and alternative medicine. Caraway was used for medicinal purposes by the ancient Romans, but carvone was probably not isolated as a pure compound until Varrentrapp obtained it in 1841 (PMID:5556886 , 2477620 ). Carvone may help in the management of diseases (PMID:30374904) and had been considered as an adjuvant for treatment of cancer patients (PMID:30087792) and patients with epilepsy (PMID:31239862). It also has been successfully used as a biopesticide (PMID:30250476). D-carvone appears as pale yellow or colorless liquid. (NTP, 1992) (+)-carvone is a carvone having (S) configuration. It is an enantiomer of a (-)-carvone. d-Carvone is a natural product found in Xylopia aromatica, Xylopia sericea, and other organisms with data available. See also: Caraway Oil (part of). A carvone having (S) configuration.
Menthofuran
A menthofuran that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6 (the 6R-enantiomer). (r)-menthofuran, also known as 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran or 3,9-epoxy-P-mentha-3,8-diene, is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring (r)-menthofuran is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-menthofuran is a coffee, earthy, and musty tasting compound found in herbs and spices, mentha (mint), and orange mint, which makes (r)-menthofuran a potential biomarker for the consumption of these food products (r)-menthofuran can be found primarily in saliva.
2-trans-4-trans-7-cis-Decatrienal
2-trans-4-trans-7-cis-Decatrienal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Linden ether
Linden ether is a constituent of linden honey. Constituent of linden honey
2-Acetyl-3-ethylpyrazine
2-Acetyl-3-ethylpyrazine is a flavouring ingredien Flavouring ingredient
1-Acetyl-4-isopropenylcyclopentene
1-Acetyl-4-isopropenylcyclopentene is isolated from oil of Eucalyptus globulus (Tasmanian blue gum Isolated from oil of Eucalyptus globulus (Tasmanian blue gum)
Teresantalal
Teresantalal is a flavouring ingredient. Teresantalal is a constituent of the oil of Santalum album (sandalwood Flavouring ingredient. Constituent of the oil of Santalum album (sandalwood)
2-(4-Methylphenyl)-1-propanol
2-(4-Methylphenyl)-1-propanol is found in fruits. 2-(4-Methylphenyl)-1-propanol is a volatile component of apricot Volatile component of apricots. 2-(4-Methylphenyl)-1-propanol is found in fruits.
4-Phenyl-2-butanol
(±)-4-Phenyl-2-butanol is a flavouring ingredien Flavouring ingredient
7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is found in herbs and spices. 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is an alkaloid from the roots of Glycyrrhiza uralensis (Chinese licorice). Alkaloid from the roots of Glycyrrhiza uralensis (Chinese licorice). 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is found in herbs and spices.
3-Caren-5-one
3-Caren-5-one is found in herbs and spices. 3-Caren-5-one is a constituent of Kaempferia galanga (galangal) Constituent of Kaempferia galanga (galangal). 3-Caren-5-one is found in herbs and spices.
2-(4-Methylphenyl)-2-propanol
2-(4-Methylphenyl)-2-propanol is found in allspice. 2-(4-Methylphenyl)-2-propanol occurs in essential oils, e.g. Citrus reticulata and various fresh fruits. 2-(4-Methylphenyl)-2-propanol is a flavouring ingredien Occurs in essential oils, e.g. Citrus reticulata and various fresh fruits. Flavouring ingredient. 2-(4-Methylphenyl)-2-propanol is found in many foods, some of which are nutmeg, dill, fruits, and sweet marjoram.
6-Methylnicotinamide
6-methylnicotinamide is a derivative of nicotinamide. It is associated with early sign of Parkinsons disease. (PubMed: 8224447; PubMed: 8674737)
2-Methyl-1-phenyl-2-propanol
2-Methyl-1-phenyl-2-propanol is found in cocoa and cocoa products. 2-Methyl-1-phenyl-2-propanol is a flavouring ingredient. 2-Methyl-1-phenyl-2-propanol is present in coco 2-Methyl-1-phenyl-2-propanol is a flavouring ingredient. It is found in cocoa and cocoa products.
1-Methoxy-4-propylbenzene
1-Methoxy-4-propylbenzene is found in herbs and spices. 1-Methoxy-4-propylbenzene is a flavouring ingredient. 1-Methoxy-4-propylbenzene is present in dried bonito (Katsuobishi), capers (Caparis spinosa), aniseed (Pimpinella anisum), leaf oil of apple mint (Mentha rotundifolia) and flower honey 1-Methoxy-4-propylbenzene is a flavouring ingredient. It is found in herbs such as dried bonito (Katsuobishi), capers (Caparis spinosa), aniseed (Pimpinella anisum), leaf oil of apple mint (Mentha rotundifolia), and flower honeys.
(2E,4Z,7Z)-2,4,7-Decatrienal
(2E,4Z,7Z)-2,4,7-Decatrienal is found in animal foods. (2E,4Z,7Z)-2,4,7-Decatrienal is a component of cooked chicken flavour. Component of cooked chicken flavour. (2E,4Z,7Z)-2,4,7-Decatrienal is found in animal foods.
2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde
2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde is a steam volatile constituent (about 3\\%) of saffron (Crocus sativus) essential oil Steam volatile constituent (ca.3\\%) of saffron (Crocus sativus) essential oil
Carvone
Carvone is found in anise. Carvone is a flavouring ingredient Flavouring ingredient. Constituent of gingergrass oil
4,6-Decadiyn-1-ol
4,6-decadiyn-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 4,6-decadiyn-1-ol is considered to be a fatty alcohol lipid molecule. 4,6-decadiyn-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,6-decadiyn-1-ol can be found in fats and oils and herbs and spices, which makes 4,6-decadiyn-1-ol a potential biomarker for the consumption of these food products. 4,6-Decadiyn-1-ol is found in fats and oils. 4,6-Decadiyn-1-ol is a constituent of Carthamus tinctorius (safflower).
2-Acetyl-3,6-dimethylpyrazine
2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products. 2-Acetyl-3,6-dimethylpyrazine is a component of coffee aroma. Component of coffee aroma. 2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products.
2-Acetyl-3,5-dimethylpyrazine
2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products. 2-Acetyl-3,5-dimethylpyrazine is a constituent of wood smoke and coffee aroma. 2-Acetyl-3,5-dimethylpyrazine is a component of *FEMA 3327*. Constituent of wood smoke and coffee aroma. Component of *FEMA 3327*. 2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products.
Thymol
Thymol Sulfate is also known as Thymol sulfuric acid. Thymol Sulfate is considered to be practically insoluble (in water) and acidic. Thymol (also known as 2-isopropyl-5-methylphenol, IPMP), C10H14O, is a natural monoterpenoid phenol derivative of p-Cymene, isomeric with carvacrol, found in oil of thyme, and extracted from Thymus vulgaris (common thyme), ajwain,[4] and various other plants as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. Thymol also provides the distinctive, strong flavor of the culinary herb thyme, also produced from T. vulgaris. Thymol is only slightly soluble in water at neutral pH, but it is extremely soluble in alcohols and other organic solvents. It is also soluble in strongly alkaline aqueous solutions due to deprotonation of the phenol. Its dissociation constant (pKa) is 10.59±0.10.[5] Thymol absorbs maximum UV radiation at 274 nm.[6] Ancient Egyptians used thyme for embalming.[9] The ancient Greeks used it in their baths and burned it as incense in their temples, believing it was a source of courage. The spread of thyme throughout Europe was thought to be due to the Romans, as they used it to purify their rooms and to "give an aromatic flavour to cheese and liqueurs".[10] In the European Middle Ages, the herb was placed beneath pillows to aid sleep and ward off nightmares.[11] In this period, women also often gave knights and warriors gifts that included thyme leaves, because it was believed to bring courage to the bearer. Thyme was also used as incense and placed on coffins during funerals, because it was supposed to ensure passage into the next life.[12] The bee balms Monarda fistulosa and Monarda didyma, North American wildflowers, are natural sources of thymol. The Blackfoot Native Americans recognized these plants' strong antiseptic action and used poultices of the plants for skin infections and minor wounds. A tisane made from them was also used to treat mouth and throat infections caused by dental caries and gingivitis.[13] Thymol was first isolated by German chemist Caspar Neumann in 1719.[14] In 1853, French chemist Alexandre Lallemand[15] (1816-1886) named thymol and determined its empirical formula.[16] Thymol was first synthesized by Swedish chemist Oskar Widman[17] (1852-1930) in 1882.[18]
TRIETHYLENE GLYCOL
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Isopiperitenone
Isopiperitenone, also known as 3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-one or 6-isopropenyl-3-methyl-2-cyclohexen-1-one, 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. Isopiperitenone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Isopiperitenone can be found in dill and spearmint, which makes isopiperitenone a potential biomarker for the consumption of these food products.
D-Perillaldehyde
Perillaldehyde or perillyl aldehyde belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in the plastids. Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. p-Menthane consists of a 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. Perillyl aldehyde is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Perillaldehyde is a cherry, and fatty tasting compound found in herbs and spices. It is a natural organic compound found most abundantly in the annual herb perilla, but also in a wide variety of other plants and essential oils. Perillaldehyde, or volatile oils from perilla that are rich in perillaldehyde, are used as food additives for flavoring and in perfumery to add spiciness. Perillaldehyde can be readily converted to perilla alcohol, which is also used in perfumery. It has a mint-like, cinnamon odor and is primarily responsible for the flavor of perilla. D-perillaldehyde 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. D-perillaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-perillaldehyde can be found in caraway, which makes D-perillaldehyde a potential biomarker for the consumption of this food product. Perillaldehyde, or volatile oils from perilla that are rich in perillaldehyde, are used as food additives for flavoring and in perfumery to add spiciness. Perillaldehyde can be readily converted to perilla alcohol, which is also used in perfumery. It has a mint-like, cinnamon odor and is primarily responsible for the flavor of perilla .
p-Mentha-1,3-dien-7-al
P-mentha-1,3-dien-7-al 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. P-mentha-1,3-dien-7-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). P-mentha-1,3-dien-7-al is a fat, fatty, and spice tasting compound found in cumin, which makes P-mentha-1,3-dien-7-al a potential biomarker for the consumption of this food product.
p-Mentha-1,4-dien-7-al
P-mentha-1,4-dien-7-al is a member of the class of compounds known as organic oxides. Organic oxides are organic compounds containing an oxide group. P-mentha-1,4-dien-7-al is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). P-mentha-1,4-dien-7-al can be found in cumin, which makes P-mentha-1,4-dien-7-al a potential biomarker for the consumption of this food product.
4,5-Dimethyl-2-ethylphenol
4,5-dimethyl-2-ethylphenol is a member of the class of compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. 4,5-dimethyl-2-ethylphenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4,5-dimethyl-2-ethylphenol can be found in pot marjoram, which makes 4,5-dimethyl-2-ethylphenol a potential biomarker for the consumption of this food product.
3-Methyl-2(3-methylbut-2-en-1-yl)furan
3-methyl-2(3-methylbut-2-en-1-yl)furan 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. 3-methyl-2(3-methylbut-2-en-1-yl)furan is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-methyl-2(3-methylbut-2-en-1-yl)furan is a caramel, green, and minty tasting compound found in ginger, which makes 3-methyl-2(3-methylbut-2-en-1-yl)furan a potential biomarker for the consumption of this food product.
Perillene
Perillene is a monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour. It has a role as a semiochemical, a metabolite and a fragrance. It is a member of furans and a monoterpenoid. Perillene is a natural product found in Curcuma amada, Origanum sipyleum, and other organisms with data available. A monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour. Perillene, also known as 3-(4-methyl-3-pentenyl)furan, 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. Perillene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Perillene is a woody tasting compound found in common oregano and ginger, which makes perillene a potential biomarker for the consumption of these food products. Perillene is a natural monoterpene that consists of a furan ring with a six-carbon homoprenyl side chain. Perillene is a component of the essential oil obtained by extraction of the leaves of Perilla frutescens. Perillene has also been obtained by steam distillation of the leaves of Perilla frutescens. Perillene has been found to elicit distinct electrophysiological responses in the antennae of the apple blossom weevil. It has been suggested that perillene is one several terpene hydrocarbons in the emanation bouquet of apple tree buds which may be used by adult weevils as chemical cues to discrimination during host-searching behavior .
Adamantanone
Adamantanone is a member of adamantanones. Adamantanone (2-Adamantone) is a bioactive chemical, and can be used for the synthesis of active compound[1].
L(-)-Carvone
A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2].
4-Aminoacetanilide
CONFIDENCE standard compound; INTERNAL_ID 2761 CONFIDENCE standard compound; INTERNAL_ID 8656 CONFIDENCE standard compound; INTERNAL_ID 8112 CONFIDENCE standard compound; INTERNAL_ID 8053 CONFIDENCE standard compound; INTERNAL_ID 4135
1,2-Epoxy-car-3-en|1,2-epoxy-car-3-ene|Delta3-Caren-1,2-epoxid|Delta3-Carene-oxide
2-formyl-5-isopropylbicyclo<3.1.0>hex-2-ene|2-formyl-5-isopropylbicyclo[3.1.0]hex-2-ene
deca-2t,6t-dien-4-yn-1-ol|Decadien-(2t,6t)-in-(4)-ol-(1)
2-Methyl-2-formyl-1-phenylhydrazin|N-Methyl-N-phenyl-N-formyl-hydrazin
methyl 5-methyl-8,9,10-trinorborn-5-en-2-endo-yl ketone
methyl 6-methyl-8,9,10-trinorborn-5-en-2-endo-yl ketone
myrtenal
(-)-Myrtenal is a natural product found in Cyperus articulatus, Forsythia viridissima, and other organisms with data available. (?)-Myrtenal ((1R)-(?)-Myrtenal) is an orally active terpene with antitumour activity. (?)-Myrtenal ameliorates hyperglycemia by enhancing GLUT2 through Akt in the skeletal muscle and liver of diabetic rats[1][2]. (?)-Myrtenal ((1R)-(?)-Myrtenal) is an orally active terpene with antitumour activity. (?)-Myrtenal ameliorates hyperglycemia by enhancing GLUT2 through Akt in the skeletal muscle and liver of diabetic rats[1][2]. (?)-Myrtenal ((1R)-(?)-Myrtenal) is an orally active terpene with antitumour activity. (?)-Myrtenal ameliorates hyperglycemia by enhancing GLUT2 through Akt in the skeletal muscle and liver of diabetic rats[1][2]. (?)-Myrtenal ((1R)-(?)-Myrtenal) is an orally active terpene with antitumour activity. (?)-Myrtenal ameliorates hyperglycemia by enhancing GLUT2 through Akt in the skeletal muscle and liver of diabetic rats[1][2]. (?)-Myrtenal ((1R)-(?)-Myrtenal) is an orally active terpene with antitumour activity. (?)-Myrtenal ameliorates hyperglycemia by enhancing GLUT2 through Akt in the skeletal muscle and liver of diabetic rats[1][2]. (?)-Myrtenal ((1R)-(?)-Myrtenal) is an orally active terpene with antitumour activity. (?)-Myrtenal ameliorates hyperglycemia by enhancing GLUT2 through Akt in the skeletal muscle and liver of diabetic rats[1][2].
5EL0Y7P6LP
(-)-Perillaldehyde is a natural product found in Perilla frutescens var. crispa, Valeriana officinalis, and other organisms with data available. See also: Paeonia lactiflora root (part of). L-Perillaldehyde is a major component in the essential oil containing in Perillae Herba. Inhalation of L-Perillaldehyde shows antidepressant-like activity through the olfactory nervous function[1]. L-Perillaldehyde is a major component in the essential oil containing in Perillae Herba. Inhalation of L-Perillaldehyde shows antidepressant-like activity through the olfactory nervous function[1].
7M-744
Benzylurea is a benzylamide. Benzylurea can be isolated from Salvadora persica stems. Benzylurea has antimicrobial activity. Benzylurea can be used for the research of various biochemical studies[1].
Verbenone
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one is a carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4. It is a carbobicyclic compound, a cyclic ketone and an enone. Verbenone is a natural product found in Eucalyptus fasciculosa, Eucalyptus intertexta, and other organisms with data available. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.872 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.873 Verbenone ((-)-Verbenone) is a natural terpene in leaves of the tree, Verbena officinalis[1]. Verbenone has anti-aggregation pheromone and interrupts the attraction of bark beetles to their aggregation pheromones[2]. Verbenone ((-)-Verbenone) is a natural terpene in leaves of the tree, Verbena officinalis[1]. Verbenone has anti-aggregation pheromone and interrupts the attraction of bark beetles to their aggregation pheromones[2].
Thymol
Thymol, also known as 1-hydroxy-5-methyl-2-isopropylbenzene or 2-isopropyl-5-methylphenol, is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. Thus, thymol is considered to be an isoprenoid lipid molecule. Thymol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Thymol can be synthesized from p-cymene. Thymol can also be synthesized into thymol sulfate and thymol sulfate(1-). Thymol is a camphor, herbal, and medicinal tasting compound and can be found in a number of food items such as anise, common oregano, caraway, and highbush blueberry, which makes thymol a potential biomarker for the consumption of these food products. Thymol can be found primarily in saliva and urine, as well as in human liver and skeletal muscle tissues. Thymol exists in all eukaryotes, ranging from yeast to humans. C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Thymol is the main monoterpene phenol occurring in essential oils isolated from plants belonging to the Lamiaceae family, and other plants such as those belonging to the Verbenaceae, Scrophulariaceae, Ranunculaceae and Apiaceae families. Thymol has antioxidant, anti-inflammatory, antibacterial and antifungal effects[1]. Thymol is the main monoterpene phenol occurring in essential oils isolated from plants belonging to the Lamiaceae family, and other plants such as those belonging to the Verbenaceae, Scrophulariaceae, Ranunculaceae and Apiaceae families. Thymol has antioxidant, anti-inflammatory, antibacterial and antifungal effects[1].
(R)-Carvone
(-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2]. (-)-Carvone is an insect neurotoxin and a irreversible acetylcholinesterase (AChE) inhibitor. (-)-Carvone can be used as a bird repellent, inhibits larval growth, decreases pupatation rate, and increases mortality of larvae[1][2].
(S)-2-methyl-5-(1-methylethenyl)-2-Cyclohexen-1-one
3-Amino-4-methylbenzamide
CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1982; ORIGINAL_PRECURSOR_SCAN_NO 1977 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2348; ORIGINAL_PRECURSOR_SCAN_NO 2343 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1986; ORIGINAL_PRECURSOR_SCAN_NO 1985 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1995; ORIGINAL_PRECURSOR_SCAN_NO 1994 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2343; ORIGINAL_PRECURSOR_SCAN_NO 2342 CONFIDENCE standard compound; INTERNAL_ID 947; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2343; ORIGINAL_PRECURSOR_SCAN_NO 2341
1-(4-(prop-1-en-2-yl)cyclopent-1-enyl)ethanone
2,6,6-Trimethylcyclohexa-1,4-diene-1-carbaldehyde
3-methyl-2H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one
Pyrrolo[1,2-a]pyrazin-3(4H)-one, 1,2-dihydro-6-methyl- (9CI)
3-Cyclopropyl-1-methyl-1H-pyrazole-4-carboxaldehyde
2H-Cyclopenta[b]pyridin-2-one,4-amino-1,5,6,7-tetrahydro-(9CI)
2,2-difluoro-1,3-dimethyl-1,3-diazinane
C6H12F2N2 (150.09684959999998)
3-(5-Amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
Pyrrolo[1,2-c]pyrimidin-1(5H)-one,6,7-dihydro-3-methyl-
2-(3,3-Difluoro-pyrrolidin-1-yl)-ethylamine
C6H12F2N2 (150.09684959999998)
2-METHYL-3,5,6,7-TETRAHYDRO-CYCLOPENTAPYRIMIDIN-4-ONE
1H-Pyrazole-4-carbonitrile,3-amino-1-(1-methylethyl)-
1-(AZETIDIN-3-YL)-N,N-DIMETHYLMETHANAMINE HYDROCHLORIDE
1H-Imidazole-4-carbonitrile,5-(ethylamino)-1-methyl-(9CI)
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde
1H-Imidazole-4-carbonitrile,5-amino-2-(1-methylethyl)-(9CI)
Pyrido[4,3-e]-1,2,4-triazine, 5,6,7,8-tetrahydro-3-methyl- (9CI)
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
DL-carvone
Carvone, also known as 2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one or 2-methyl-5-isopropenyl-2-cyclohexenone, 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. Carvone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Carvone can be found primarily in saliva and urine. Within the cell, carvone is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Carvone is a member of a family of chemicals called terpenoids. Carvone is found naturally in many essential oils, but is most abundant in the oils from seeds of caraway (Carum carvi), spearmint (Mentha spicata), and dill . D000970 - Antineoplastic Agents
(6-(Dimethylamino)pyridin-3-yl)boronic acid hydrate
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
4-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
Antioxine
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Carvacrol is a monoterpenoid phenol isolated from Thymus mongolicus Ronn., with antioxidant, anti-inflammatory and anticancer properties. Carvacrol causes cell cycle arrest in G0/G1, downregulates Notch-1, and Jagged-1, and induces apoptosis[1]. Carvacrol is a monoterpenoid phenol isolated from Thymus mongolicus Ronn., with antioxidant, anti-inflammatory and anticancer properties. Carvacrol causes cell cycle arrest in G0/G1, downregulates Notch-1, and Jagged-1, and induces apoptosis[1].
Safranal
Safranal is an orally active main component of Saffron (Crocus sativus) and is responsible for the unique aroma of this spice. Safranal has neuroprotective and anti-inflammatory effects and has the potential for Parkinson’s disease research[1]. Safranal is an orally active main component of Saffron (Crocus sativus) and is responsible for the unique aroma of this spice. Safranal has neuroprotective and anti-inflammatory effects and has the potential for Parkinson’s disease research[1].
cuminol
4-Isopropylbenzyl alcohol is a chemical composition of the essential oils from the leaves and flowers of Camellia nitidissima. C. nitidissima possess multiple biological activities including antioxidant activity, anticancer activity, and cytotoxicity as well as inhibiting the formation of advanced glycation end-products[1]. 4-Isopropylbenzyl alcohol is a chemical composition of the essential oils from the leaves and flowers of Camellia nitidissima. C. nitidissima possess multiple biological activities including antioxidant activity, anticancer activity, and cytotoxicity as well as inhibiting the formation of advanced glycation end-products[1].
(+)-Verbenone
Verbenone, also known as verbenone, (1r)-isomer, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Verbenone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Verbenone is a camphor, celery, and menthol tasting compound and can be found in a number of food items such as sunflower, cabbage, spearmint, and safflower, which makes verbenone a potential biomarker for the consumption of these food products. Verbenone is a natural organic compound classified as a terpene that is found naturally in a variety of plants. The chemical has a pleasant characteristic odor. Besides being a natural constituent of plants, it and its analogs are insect pheromones. In particular, verbenone when formulated in a long-lasting matrix has an important role in the control of bark beetles such as the mountain pine beetle and the Southern pine bark beetle .
[(3S,4S,5R,6S)-4,5,6-trihydroxyoxan-3-yl]azanium
C5H12NO4+ (150.07662919999999)
Triethylene glycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde
7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
(R)-(+)-verbenone
A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have R configuration. It is a component of Spanish verbena oil, from Verbena triphylla.
7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde
(1s,2r,5s)-5-isopropylbicyclo[3.1.0]hex-3-ene-2-carbaldehyde
2-(2-butynyl)-cyclohexanone
{"Ingredient_id": "HBIN003688","Ingredient_name": "2-(2-butynyl)-cyclohexanone","Alias": "NA","Ingredient_formula": "C10H14O","Ingredient_Smile": "CC#CCC1CCCCC1=O","Ingredient_weight": "150.22","OB_score": "47.77602354","CAS_id": "54166-48-2","SymMap_id": "SMIT07521","TCMID_id": "NA","TCMSP_id": "MOL005817","TCM_ID_id": "NA","PubChem_id": "584585","DrugBank_id": "NA"}
2,3,4,6-tetramethylphenol
{"Ingredient_id": "HBIN003858","Ingredient_name": "2,3,4,6-tetramethylphenol","Alias": "EINECS 221-799-4; InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H; phenol, 2,3,4,6-tetramethyl-; 3238-38-8; 28449-98-1","Ingredient_formula": "C10H14O","Ingredient_Smile": "CC1=CC(=C(C(=C1C)C)O)C","Ingredient_weight": "150.22","OB_score": "61.62117851","CAS_id": "28449-98-1","SymMap_id": "SMIT07635","TCMID_id": "NA","TCMSP_id": "MOL005950","TCM_ID_id": "NA","PubChem_id": "76719","DrugBank_id": "NA"}
(2S,3R,4S,5R)-hexane-2,3,4,5-tetrol
{"Ingredient_id": "HBIN006646","Ingredient_name": "(2S,3R,4S,5R)-hexane-2,3,4,5-tetrol","Alias": "NA","Ingredient_formula": "C6H14O4","Ingredient_Smile": "NA","Ingredient_weight": "150.17","OB_score": "46.38098846","CAS_id": "17169-76-5","SymMap_id": "SMIT11343","TCMID_id": "NA","TCMSP_id": "MOL010284","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-naginatene
{"Ingredient_id": "HBIN015616","Ingredient_name": "alpha-naginatene","Alias": "\u03b1-naginatene","Ingredient_formula": "C10H14O","Ingredient_Smile": "CC1=C(OC=C1)CC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25444;15231","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-naginatene
{"Ingredient_id": "HBIN018199","Ingredient_name": "beta-naginatene","Alias": "\u03b2-naginatene","Ingredient_formula": "C10H14O","Ingredient_Smile": "CC1=C(OC=C1)CCC(=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25443;15232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Bicyclo[3. 2. 2]non-6-en-3-one
{"Ingredient_id": "HBIN018449","Ingredient_name": "Bicyclo[3. 2. 2]non-6-en-3-one","Alias": "NA","Ingredient_formula": "C10H14O","Ingredient_Smile": "C1CC2CC(=O)CC1C=C2","Ingredient_weight": "150.22","OB_score": "36.27605068","CAS_id": "106004-12-0","SymMap_id": "SMIT03966","TCMID_id": "NA","TCMSP_id": "MOL001574","TCM_ID_id": "NA","PubChem_id": "585828","DrugBank_id": "NA"}
Bicyclo[3.3.0]octan-3-one, 7-ethylidene-
{"Ingredient_id": "HBIN018450","Ingredient_name": "Bicyclo[3.3.0]octan-3-one, 7-ethylidene-","Alias": "NA","Ingredient_formula": "C10H14O","Ingredient_Smile": "CC=C1CC2CC(=O)CC2C1","Ingredient_weight": "150.22 g/mol","OB_score": "55.51239951","CAS_id": "NA","SymMap_id": "SMIT06000","TCMID_id": "NA","TCMSP_id": "MOL004012","TCM_ID_id": "NA","PubChem_id": "564544","DrugBank_id": "NA"}