Exact Mass: 136.1221
Exact Mass Matches: 136.1221
Found 285 metabolites which its exact mass value is equals to given mass value 136.1221,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(-)-Sabinene
Sabinene (CAS: 3387-41-5) belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, sabinene is considered to be an isoprenoid lipid molecule. Sabinene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (-)-Sabinene is found in herbs and spices and is a constituent of Laurus nobilis (bay laurel). Constituent of Laurus nobilis (bay laurel) and some other plants. (-)-4(10)-Thujene is found in sweet bay and herbs and spices. Sabinene is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite. Black pepper allergenic extract is used in allergenic testing. Laurus nobilis allergenic extract is used in allergenic testing. Nutmeg allergenic extract is used in allergenic testing. Sabinene is a natural product found in Teucrium montanum, Xylopia aromatica, and other organisms with data available. Carrot Seed Oil is the oil extracted from the seeds of Daucus carota. Carrot seed oil is primarily used in skin treatment preparations. Acquisition and generation of the data is financially supported in part by CREST/JST. Sabinene is an naturally occurring bicyclic monoterpene which can be used as flavorings, perfume additives, fine chemicals, and advanced biofuels. Sabinene is also an orally active compound to attenuates skeletal muscle atrophy and regulates ROS-mediated MAPK/MuRF-1 pathways[1][2]. Sabinene is an naturally occurring bicyclic monoterpene which can be used as flavorings, perfume additives, fine chemicals, and advanced biofuels. Sabinene is also an orally active compound to attenuates skeletal muscle atrophy and regulates ROS-mediated MAPK/MuRF-1 pathways[1][2].
Polylimonene
Dipentene appears as a colorless liquid with an odor of lemon. Flash point 113 °F. Density about 7.2 lb /gal and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent for rosin, waxes, rubber; as a dispersing agent for oils, resins, paints, lacquers, varnishes, and in floor waxes and furniture polishes. Limonene is a monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. It has a role as a human metabolite. It is a cycloalkene and a p-menthadiene. Limonene is a natural product found in Teucrium montanum, Xylopia aromatica, and other organisms with data available. Limonene, (+/-)- is a racemic mixture of limonene, a natural cyclic monoterpene and major component of the oil extracted from citrus rind with chemo-preventive and antitumor activities. The metabolites of DL-limonene, perillic acid, dihydroperillic acid, uroterpenol and limonene 1,2-diol are suggested to inhibit tumor growth through inhibition of p21-dependent signaling, induce apoptosis via the induction of the transforming growth factor beta-signaling pathway, inhibit post-translational modification of signal transduction proteins, result in G1 cell cycle arrest as well as cause differential expression of cell cycle- and apoptosis-related genes. Limonene is a metabolite found in or produced by Saccharomyces cerevisiae. A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA). See also: Cannabis sativa subsp. indica top (part of); Larrea tridentata whole (part of). Constituent of many essential oils. (±)-Limonene is found in many foods, some of which are common oregano, nutmeg, herbs and spices, and summer savory. Dipentene is found in carrot. Dipentene is a constituent of many essential oils
(-)-alpha-Pinene
(-)-alpha-pinene is an alpha-pinene. It is an enantiomer of a (+)-alpha-pinene. (-)-alpha-Pinene is a natural product found in Curcuma amada, Thryptomene saxicola, and other organisms with data available. (-)-alpha-Pinene is found in almond. alpha-Pinene is an organic compound of the terpene class, one of two isomers of pinene. It is found in the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis). Both enantiomers are known in nature; 1S,5S- or (-)-alpha-pinene is more common in European pines, whereas the 1R,5R- or (+)-alpha-isomer is more common in North America. The racemic mixture is present in some oils such as eucalyptus oil. (Wikipedia) (-)-alpha-Pinene belongs to the family of Bicyclic Monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other. alpha-Pinene (CAS: 80-56-8) is an organic compound of the terpene class and is one of two isomers of pinene. It is found in the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis). Both enantiomers are known in nature. 1S,5S- or (-)-alpha-pinene is more common in European pines, whereas the 1R,5R- or (+)-alpha-isomer is more common in North America. The racemic mixture is present in some oils such as eucalyptus oil (Wikipedia). (-)-alpha-Pinene is found in almond. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1].
(-)-beta-Pinene
(-)-beta-pinene is the (1S,5S)-enantiomer of beta-pinene. It is an enantiomer of a (+)-beta-pinene. (-)-beta-Pinene is a natural product found in Curcuma amada, Molopospermum peloponnesiacum, and other organisms with data available. Flavouring ingredient. (-)-beta-Pinene is found in many foods, some of which are almond, hyssop, sweet bay, and common sage. (-)-beta-Pinene is found in almond. (-)-beta-Pinene is a flavouring ingredient. The (1S,5S)-enantiomer of beta-pinene. β-Pinene ((-)-β-Pinene), a major component of turpentine, inhibit infectious bronchitis virus (IBV) with an IC50 of 1.32 mM. β-Pinene presents antimicrobial activity[1][2]. β-Pinene ((-)-β-Pinene), a major component of turpentine, inhibit infectious bronchitis virus (IBV) with an IC50 of 1.32 mM. β-Pinene presents antimicrobial activity[1][2].
beta-Myrcene
7-Methyl-3-methylene-1,6-octadiene, also known as beta-Myrcene or myrcene is an acyclic monoterpene. 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. beta-Myrcene is a significant component of the essential oil of several plants, including allspice, bay, cannabis, hops, houttuynia, lemon grass, mango, myrcia, verbena, west indian bay tree, and cardamom. It is also the main component of wild thyme, the leaves of which contain up to 40\\\\% by weight of myrcene. Industrially, it is produced mainly semi-synthetically from myrcia, from which it gets its name. Myrcene has been detected as a volatile component in cannabis plant samples (PMID:26657499 ) and its essential oils (PMID:6991645 ). beta-Myrcene is the most abundant monoterpene in Cannabis and it has analgesic, anti-inflammatory, antibiotic, and antimutagenic activities. beta-Myrcene is a flavouring agent and it is used in the perfumery industry. It has a pleasant odor but is rarely used directly. It is a key intermediate in the production of several fragrances such as menthol, citral, citronellol, citronellal, geraniol, nerol, and linalool. Myrcene, [liquid] appears as a yellow oily liquid with a pleasant odor. Flash point below 200 °F. Insoluble in water and less dense than water. Beta-myrcene is a monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, an anabolic agent, a fragrance, a flavouring agent and a volatile oil component. Myrcene is a natural product found in Teucrium montanum, Xylopia aromatica, and other organisms with data available. 7-Methyl-3-methylene-1,6-octadiene is found in allspice. 7-Methyl-3-methylene-1,6-octadiene is found in many essential oils, e.g. hop oil. 7-Methyl-3-methylene-1,6-octadiene is a flavouring agent. Myrcene is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Caraway Oil (part of); Mandarin oil (part of); Juniper Berry Oil (part of) ... View More ... A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. Found in many essential oils, e.g. hop oil. Flavouring agent Myrcene (β-Myrcene), an aromatic volatile compound, suppresses TNFα-induced NF-κB activity. Myrcene has anti-invasive effect[1][2]. Myrcene (β-Myrcene), an aromatic volatile compound, suppresses TNFα-induced NF-κB activity. Myrcene has anti-invasive effect[1][2].
beta-Phellandrene
beta-Phellandrene is found in allspice. beta-Phellandrene is widely distributed in essential oils (Angelica, Eucalyptus, Lavandula, Mentha, Pinus species). beta-Phellandrene is a flavour ingredient.Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia Beta-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). It has a role as a plant metabolite. beta-Phellandrene is a natural product found in Xylopia aromatica, Dacrydium nausoriense, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of). One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). Widely distributed in essential oils (Angelica, Eucalyptus, Lavandula, Mentha, Pinus subspecies). Flavour ingredient β-Phellandrene is obtained from Carum petroselinum. β-Phellandrene can be used to essential oil additives[1]. β-Phellandrene is obtained from Carum petroselinum. β-Phellandrene can be used to essential oil additives[1].
(R)-alpha-Phellandrene
(R)-alpha-Phellandrene is found in herbs and spices. (R)-alpha-Phellandrene is a constituent of oils of pimento, bay, Citrus, Juniperus, Mentha, and other essential oils. Oil of Zanthoxylum alatum is a major source (50\\%). (R)-alpha-Phellandrene is a flavouring agent.Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia) (-)-alpha-phellandrene is the (R)-(-)-stereoisomer of alpha-phellandrene. It is an enantiomer of a (+)-alpha-phellandrene. (R)-(-)-alpha-Phellandrene is a natural product found in Curcuma amada, Psidium guajava, and other organisms with data available. See also: Eucalyptus Oil (part of). Constituent of oils of pimento, bay, Citrus, Juniperus, Mentha, and other essential oils. Oil of Zanthoxylum alatum is a major source (50\\%). Flavouring agent The (R)-(-)-stereoisomer of alpha-phellandrene.
alpha-Terpinene
Alpha-Terpinene is one of four isomers of terpinene (the other three being beta terpinene, gamma terpenine, and delta terpinine or terpimolene) that differ in the position of carbon-carbon double bonds. Alpha-Terpinene belongs to the class of organic compounds known as menthane monoterpenes. These are monoterpenes 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. alpha-Terpinene is a naturally occurring monoterpene found in allspice, cardamom, and marjoram. alpha-Terpinene is a constituent of many essential oils with oil from Litsea ceylanica being is a major source (20\\\\%) of it. alpha-Terpinene has been found in Citrus, Eucalyptus and Juniperus species, and cannabis plants (PMID:6991645 ). ±-Terpinene is a flavouring agent and is produced industrially by acid-catalyzed rearrangement of ±-pinene. It has perfume and flavoring properties but is mainly used to confer a pleasant odor to industrial fluids. Alpha-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. It has a role as a volatile oil component and a plant metabolite. It is a monoterpene and a cyclohexadiene. alpha-Terpinene is a natural product found in Xylopia aromatica, Xylopia sericea, and other organisms with data available. One of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. Alpha-terpinene, also known as 1-isopropyl-4-methyl-1,3-cyclohexadiene or 1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene, 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, alpha-terpinene is considered to be an isoprenoid lipid molecule. Alpha-terpinene is a camphoraceous, citrus, and herbal tasting compound and can be found in a number of food items such as summer savory, cabbage, pot marjoram, and wild celery, which makes alpha-terpinene a potential biomarker for the consumption of these food products. Alpha-terpinene can be found primarily in saliva. Alpha-terpinene exists in all eukaryotes, ranging from yeast to humans. α-Terpinene (Terpilene) is a monoterpene found in the essential oils of a large variety of foods and aromatic plants such as Mentha piperita. α-Terpinene is active against Trypanosoma evansi and has the potential for trypanosomosis treatment. α-Terpinene has antioxidant and antifungal properties[1][2][3][4]. α-Terpinene (Terpilene) is a monoterpene found in the essential oils of a large variety of foods and aromatic plants such as Mentha piperita. α-Terpinene is active against Trypanosoma evansi and has the potential for trypanosomosis treatment. α-Terpinene has antioxidant and antifungal properties[1][2][3][4].
gamma-Terpinene
Gamma-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton. It has a role as an antioxidant, a plant metabolite, a volatile oil component and a human xenobiotic metabolite. It is a monoterpene and a cyclohexadiene. gamma-Terpinene is a natural product found in Teucrium montanum, Xylopia aromatica, and other organisms with data available. The terpinenes are three isomeric hydrocarbons that are classified as terpenes. Gamma-terpinene is one these three isomeric hydrocarbons. It is natural and has been isolated from a variety of plant sources (Wikipedia). It is a major component of essential oils made from Citrus Fruits and has strong antioxidant activity. It has a lemon odor and widely used in food, flavours, soaps, cosmetics, pharmaceutical, tabacco, confectionery and perfume industries (http://www.gyanflavoursexport.com). See also: Lemon oil, cold pressed (part of); Coriander Oil (part of); Mandarin oil (part of). Gamma-terpinene is one of four isomeric monoterpenes (the other three being alpha terpinene, beta terpinene and delta terpinene). It is a naturally occurring terpinene and has been isolated from a variety of plant sources. It has the highest boiling point of the four known terpinene isomers. It is a major component of essential oils made from citrus fruits and has a strong antioxidant activity. It has a lemon-like or lime-like odor and is widely used in food, flavours, soaps, cosmetics, pharmaceutical, tabacco, confectionery and perfume industries (http://www.gyanflavoursexport.com). The other isomers of gamma-terpinene, such as alpha-terpinene and delta-terpinene, have been isolated from cardamom and marjoram oils while beta terpinene appears to have no natural source. One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton. Constituent of many essential oils e.g. Citrus, Eucalyptus, Mentha, Pinus subspecies Ajowan seed oil (Carum copticum) is a major source γ-Terpinene, a monoterpene, is an orally active antioxidant compound which can scavenge radicals directly. γ-Terpinene has potent antinociception activity[1]. γ-Terpinene, a monoterpene, is an orally active antioxidant compound which can scavenge radicals directly. γ-Terpinene has potent antinociception activity[1].
(+)-alpha-Pinene
alpha-Pinene (CAS: 80-56-8) is an organic compound of the terpene class and is one of two isomers of pinene. It is found in the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis). Both enantiomers are known in nature. 1S,5S- or (-)-alpha-pinene is more common in European pines, whereas the 1R,5R- or (+)-alpha-isomer is more common in North America. The racemic mixture is present in some oils such as eucalyptus oil (Wikipedia). alpha-Pinene is an organic compound of the terpene class, one of two isomers of pinene. It is found in the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis). Both enantiomers are known in nature; 1S,5S- or (-)-alpha-pinene is more common in European pines, whereas the 1R,5R- or (+)-alpha-isomer is more common in North America. The racemic mixture is present in some oils such as eucalyptus oil. (+)-alpha-pinene is the (+)-enantiomer of alpha-pinene. It has a role as a plant metabolite and a human metabolite. It is an enantiomer of a (-)-alpha-pinene. (+)-alpha-Pinene is a natural product found in Juniperus drupacea, Eucalyptus deglupta, and other organisms with data available. The (+)-enantiomer of alpha-pinene. (1R)-α-Pinene is a volatile monoterpene with antimicrobial activities. (1R)-α-Pinene reduces Bacillus cereus population growth, and exhibits repellent effects[1][2]. (1R)-α-Pinene is a volatile monoterpene with antimicrobial activities. (1R)-α-Pinene reduces Bacillus cereus population growth, and exhibits repellent effects[1][2].
(-)-Limonene
Limonene is a monoterpene with a clear colourless liquid at room temperature, a naturally occurring chemical which is the major component in oil of oranges. Limonene is widely used as a flavour and fragrance and is listed to be generally recognized as safe in food by the Food and Drug Administration (21 CFR 182.60 in the Code of Federal Regulations, U.S.A.). Limonene is a botanical (plant-derived) solvent of low toxicity. Mild skin irritation may occur from exposure to limonene and oxidation products of limonene may produce dermal sensitization, and may have irritative and bronchoconstrictive airway effects; however, data are scant and more studies are required. Limonene has been shown to cause a male rat-specific kidney toxicity referred to as hyaline droplet nephropathy. Furthermore, chronic exposure to limonene causes a significant incidence of renal tubular tumours exclusively in male rats. Limonene is one of the active components of dietary phytochemicals that appears to be protective against cancer (PMID:16563357, 15499193, 15325315, 2024047). (4S)-limonene is an optically active form of limonene having (4S)-configuration. It is an enantiomer of a (4R)-limonene. (-)-Limonene is a natural product found in Poiretia latifolia, Kippistia suaedifolia, and other organisms with data available. A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA). See also: Spearmint Oil (part of). An optically active form of limonene having (4S)-configuration. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1].
Camphene
Camphene, also known as 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane or 2,2-dimethyl-3-methylenenorbornane, 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. 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 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. Camphene is nearly insoluble in water but very soluble in common organic solvents. It volatilizes readily at room temperature and has a pungent smell. It exists as a flammable, white solid that has a minty, citrus, eucalyptus odor. It is produced industrially by catalytic isomerization of the more common alpha-pinene. Camphene is used in the preparation of fragrances and in food additives for flavouring. In the mid-19th century it was used as a fuel for lamps, but this was limited by its explosiveness. Camphene exists in all eukaryotes, ranging from yeast to plants to humans. Camphene can be found in a number of food items such as dill, carrots, caraway, hyssop, lemon, orange, nutmeg seed, parsley, sage, thyme, turmeric and fennel, which makes camphene a potential biomarker for the consumption of these food products. It is a minor constituent of many essential oils such as turpentine, cypress oil, camphor oil, citronella oil, neroli, ginger oil, and valerian. Camphene is one of several monoterpenes that are found in cannabis plants (PMID:6991645 ). Camphene, also known as 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane or 2,2-dimethyl-3-methylenenorbornane, 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. Camphene is a camphor, fir needle, and herbal tasting compound and can be found in a number of food items such as cardamom, yellow bell pepper, common thyme, and coriander, which makes camphene a potential biomarker for the consumption of these food products. Camphene can be found primarily in feces and saliva. Camphene exists in all eukaryotes, ranging from yeast to humans. Camphene is a bicyclic monoterpene. It is nearly insoluble in water, but very soluble in common organic solvents. It volatilizes readily at room temperature and has a pungent smell. It is a minor constituent of many essential oils such as turpentine, cypress oil, camphor oil, citronella oil, neroli, ginger oil, and valerian. It is produced industrially by catalytic isomerization of the more common alpha-pinene. Camphene is used in the preparation of fragrances and as a food additive for flavoring. Its mid-19th century use as a fuel for lamps was limited by its explosiveness .
Terpinolene
Terpinolene (TPO), also known as alpha-terpinolene or isoterpinene, 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. Thus, terpinolene is considered to be an isoprenoid lipid molecule. Terpinolene is a very hydrophobic monoterpenoid, practically insoluble in water, and relatively neutral. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes in plants 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. Terpinolene is one of the constituents of turpentine and an isomer of terpinene. It appears colourless to pale yellow liquid. Alpha-terpinolene has been identified as an abundant monoterpene in the essential oil of Cannabis sativa plants (PMID:6991645 ). There are more than 140 known terpenes in cannabis and the combination of these terepenoids produces the skunky, fruity odor characteristic of C. savita. Although common in cannabis cultivars, terpinolene is typically found in relatively low amounts. On the other hand, the concentration of terpinolene can be has high as 30\\% of the essential oil. It is thought that terpinolene offers a mildly sedative effect and can reduce anxiety (PMID:28826544 ). In particular, terpinolene is a central nervous system depressant that has been shown to induce drowsiness (PMID:23339024 ). Terpinolene has been demonstrated to prevent LDL oxidation and is of potential interest in the treatment of atherogenesis and coronary artery disease (PMID:28826544 ). Terpinolene exhibits antifungal and larvicidal properties (PMID:28826544 ). Terpinolene is also an effective anti-microbial agent, particularly against E coli and Staphylococcus bacteria (PMID:16402540 ). Terpinolene is also employed as a fragrence ingredient in lotions, insect repellents (similar to other terpenes), perfumes, and soaps. Terpinolene is also a constituent of many other essential oils e. g. Citrus, Mentha, Juniperus, Myristica species. Parsnip oil (Pastinaca sativa) in particular, is a major source (40-70\\%). Terpinolene is a sweet, citrus, and fresh tasting compound. It produces a floral, woody or herbal aroma reminiscent of pine needles. In addition to being found in various plant essential oils, terpinolene is found in a few different foods and spices, such as allspice, apples, sage, rosemary, parsnips, nutmegs, and wild carrots and in a lower concentration in sweet bay, star anises, turmerics, apricots, cumins, evergreen blackberries, red bell peppers, and caraway. Constituent of many essential oils e.g. Citrus, Mentha, Juniperus, Myristica subspecies Parsnip oil (Pastinaca sativa) is a major source (40-70\\%). Flavouring ingredient. Terpinolene is found in many foods, some of which are coriander, ceylon cinnamon, pine nut, and caraway.
(+)-alpha-Carene
(+)-alpha-Carene is found in herbs and spices. (+)-alpha-Carene is widespread plant product, found especially in turpentine oils (from Pinus species) and oil of galbanu Isolated from root oil of Kaempferia galanga. (-)-alpha-Carene is found in many foods, some of which are pummelo, cumin, herbs and spices, and sweet orange.
trans-Ocimene
trans-Ocimene is found in allspice. trans-Ocimene is a constituent of the pheromones of Anastrepha suspensa, Euploea tulliolus koxinga, and Labidus species (CCD). Ocimene refers to several isomeric hydrocarbons. The ocimenes are monoterpenes found within a variety of plants and fruits. alpha-Ocimene and the two beta-ocimenes differ in the position of the isolated double bond: it is terminal in the alpha-isomer. alpha-Ocimene is 3,7-dimethyl-1,3,7-octatriene. beta-Ocimene is 3,7-dimethyl-1,3,6-octatriene. beta-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. The mixture (as well as the pure compounds) is an oil with a pleasant odour and it is used in perfumery. Constituent of the pheromones of Anastrepha suspensa, Euploea tulliolus koxinga and Labidus subspecies [CCD]
(+)-beta-Phellandrene
(+)-beta-Phellandrene is found in ginger. Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia). Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (+)-beta-Phellandrene is found in ginger.
1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane
1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane is found in caraway. 1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane is found in essential oils, e.g. Juniperus communis (Juniper), Ferula galbaniflua (galbanum) and Picea species. Found in essential oils, e.g. Juniperus communis (Juniper), Ferula galbaniflua (galbanum) and Picea subspecies
beta-Thujene
A thujene that has a bicyclo[3.1.0]hex-2-ene skeleton which is substituted at positions 1 and 4 by isopropyl and methyl groups, respectively.
(+)-Limonene
(+)-Limonene, also known as d-limonene, is a naturally occurring monoterpene which is the major component in orange oil. Currently, (+)-limonene is widely used as a flavour and fragrance and is listed to be generally recognized as safe in food by the Food and Drug Administration (21 CFR 182.60 in the Code of Federal Regulations, U.S.A.). Recently, however, (+)-limonene has been shown to cause a male rat-specific kidney toxicity referred to as hyaline droplet nephropathy. Furthermore, chronic exposure to (+)-limonene causes a significant incidence of renal tubular tumours exclusively in male rats. Although (+)-limonene is not carcinogenic in female rats or male and female mice given much higher dosages, the male rat-specific nephrocarcinogenicity of (+)-limonene may raise some concern regarding the safety of (+)-limonene for human consumption. A considerable body of scientific data has indicated that the renal toxicity of (+)-limonene results from the accumulation of a protein, alpha 2u-globulin, in male rat kidney proximal tubule lysosomes. This protein is synthesized exclusively by adult male rats. Other species, including humans, synthesize proteins that share significant homology with alpha 2u-globulin. However, none of these proteins, including the mouse equivalent of alpha 2u-globulin, can produce this toxicity, indicating a unique specificity for alpha 2u-globulin. With chronic exposure to (+)-limonene, the hyaline droplet nephropathy progresses and the kidney shows tubular cell necrosis, granular cast formation at the corticomedullary junction, and compensatory cell proliferation. Both (+)-limonene and cis-d-limonene-1,2-oxide (the major metabolite involved in this toxicity) are negative in vitro mutagenicity screens. Therefore, the toxicity-related renal cell proliferation is believed to be integrally involved in the carcinogenicity of (+)-limonene as persistent elevations in renal cell proliferation may increase fixation of spontaneously altered DNA or serve to promote spontaneously initiated cells. The scientific data demonstrates that the tumorigenic activity of (+)-limonene in male rats is not relevant to humans. The three major lines of evidence supporting the human safety of (+)-limonene are (1) the male rat specificity of the nephrotoxicity and carcinogenicity; (2) the pivotal role that alpha 2u-globulin plays in the toxicity, as evidenced by the complete lack of toxicity in other species despite the presence of structurally similar proteins; and (3) the lack of genotoxicity of both (+)-limonene and d-limonene-1,2-oxide, supporting the concept of a nongenotoxic mechanism, namely, sustained renal cell proliferation (PMID:2024047). (4r)-limonene, also known as (+)-4-isopropenyl-1-methylcyclohexene or (R)-1-methyl-4-(1-methylethenyl)cyclohexene, 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, (4r)-limonene is considered to be an isoprenoid lipid molecule (4r)-limonene can be found in sweet marjoram, which makes (4r)-limonene a potential biomarker for the consumption of this food product (4r)-limonene can be found primarily in saliva.
(S)-alpha-Phellandrene
(S)-alpha-Phellandrene is found in ceylan cinnamon. (S)-alpha-Phellandrene is a flavouring agent. (S)-alpha-Phellandrene is a constituent of many essential oils including bitter fennel, elemi and ginger-grass oils. Oil of Ridolfia segetum is a major source (85\\%).Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia Flavouring agent. Constituent of many essential oils including bitter fennel, elemi and ginger-grass oils. Oil of Ridolfia segetum is a major source (85\\%)
(+)-Sabinene
Sabinene (CAS: 3387-41-5) belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, sabinene is considered to be an isoprenoid lipid molecule. Sabinene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (+)-Sabinene, also known as (+)-4(10)-thujene, is found in common sage and Myristica fragrans (nutmeg).
(-)-beta-Phellandrene
(-)-beta-Phellandrene is found in pine nut. Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia).
(+)-Camphene
Camphene, also known as 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane or 2,2-dimethyl-3-methylenenorbornane, 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. 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 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. Camphene is nearly insoluble in water but very soluble in common organic solvents. It volatilizes readily at room temperature and has a pungent smell. It exists as a flammable, white solid that has a minty, citrus, eucalyptus odor. It is produced industrially by catalytic isomerization of the more common alpha-pinene. Camphene is used in the preparation of fragrances and in food additives for flavouring. In the mid-19th century it was used as a fuel for lamps, but this was limited by its explosiveness. Camphene exists in all eukaryotes, ranging from yeast to plants to humans. Camphene can be found in a number of food items such as dill, carrots, caraway, hyssop, lemon, orange, nutmeg seed, parsley, sage, thyme, turmeric and fennel, which makes camphene a potential biomarker for the consumption of these food products. It is a minor constituent of many essential oils such as turpentine, cypress oil, camphor oil, citronella oil, neroli, ginger oil, and valerian. (+)-camphene 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, (+)-camphene is considered to be an isoprenoid lipid molecule (+)-camphene is a camphor, fir, and fresh tasting compound found in common sage and turmeric, which makes (+)-camphene a potential biomarker for the consumption of these food products.
Pinene
Pinene (is a bicyclic monoterpene chemical compound. There are two structural isomers of pinene found in nature: alpha-pinene and beta-pinene. As the name suggests, both forms are important constituents of pine resin; they are also found in the resins of many other conifers, as well as in non-coniferous plants. Both isomers are used by many insects in their chemical communication system.
β-Pinene
An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.
Widely distributed in plants, usually associated with a-Pinene
(-)-camphene
A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has S configuration at position 1 and R configuration at position 4.
alpha-Carene
Carene is a colorless liquid with a sweet, turpentine-like odor. Floats on water. (USCG, 1999) Car-3-ene is a monoterpene. It derives from a hydride of a carane. 3-Carene is a natural product found in Nepeta nepetella, Xylopia aromatica, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of). alpha-Carene is found in allspice. alpha-Carene is a flavouring ingredient.Carene, or delta-3-carene, is a bicyclic monoterpene which occurs naturally as a constituent of turpentine, with a content as high as 42\\% depending on the source. Carene has a sweet and pungent odor. It is not soluble in water, but miscible with fats and oils Flavouring ingredient
cis-Ocimene
Ocimene refers to several isomeric hydrocarbons. The ocimenes are monoterpenes found within a variety of plants and fruits. alpha-Ocimene and the two beta-ocimenes differ in the position of the isolated double bond: it is terminal in the alpha isomer. alpha-Ocimene is 3,7-dimethyl-1,3,7-octatriene. beta-Ocimene is 3,7-dimethyl-1,3,6-octatriene. beta-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. The mixture (as well as the pure compounds) is an oil with a pleasant odor. It is used in perfumery. cis-beta-Ocimene is found in many foods, some of which are cornmint, sweet orange, sweet basil, and common sage. cis-Ocimene is found in allspice. Ocimene refers to several isomeric hydrocarbons. The ocimenes are monoterpenes found within a variety of plants and fruits. alpha-Ocimene and the two beta-ocimenes differ in the position of the isolated double bond: it is terminal in the alpha isomer. alpha-Ocimene is 3,7-dimethyl-1,3,7-octatriene. beta-Ocimene is 3,7-dimethyl-1,3,6-octatriene. beta-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. The mixture (as well as the pure compounds) is an oil with a pleasant odor. It is used in perfumery. (Wikipedia
(-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane
(-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane is found in fats and oils. (-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane is a constituent of Valeriana officinalis (valerian) Constituent of Valeriana officinalis (valerian). (-)-7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane is found in tea, fats and oils, and herbs and spices.
(-)-3-Thujene
Xi-3-thujene, also known as alpha-thujen or 5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene, 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. Xi-3-thujene can be found in herbs and spices, which makes xi-3-thujene a potential biomarker for the consumption of this food product. xi-3-Thujene is found in herbs and spices. xi-3-Thujene is isolated from Indian olibanum tree (Boswellia serrata), Eucalyptus species, dill, juniper, coriander and many other plant oils. (Opt. rotn. frequently not reported).
Isoterpinolene
P-mentha-2,4(8)-diene 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-2,4(8)-diene can be found in dill, which makes P-mentha-2,4(8)-diene a potential biomarker for the consumption of this food product. P-mentha-2,4(8)-diene can be found primarily in saliva. Isoterpinolene 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.
(Z)-3,7-Dimethyl-1,3,7-octatriene
Constituent of Ocimum rubrum oil. Odour contributor to green odour of unripe mango and of mango ginger rhizome Curcuma amada used in oriental pickles [CCD]. (Z)-alpha-Ocimene is found in herbs and spices and green vegetables. (Z)-3,7-Dimethyl-1,3,7-octatriene is found in green vegetables. Odour contributor to green odour of unripe mango and of mango ginger rhizome Curcuma amada used in oriental pickle
Artemisiatriene
Artemisiatriene is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
Santolina triene
Santolina triene belongs to the class of organic compounds known as alkatrienes. These are hydrocarbons that contain exactly three carbon-to-carbon double bonds.
2,6-Dimethyl-2,4,6-octatriene
2,6-Dimethyl-2,4,6-octatriene belongs to the class of organic compounds known as alkatrienes. These are hydrocarbons that contain exactly three carbon-to-carbon double bonds.
Sylveterpinolene
Sylveterpinolene is isolated from Pinus sylvestris (Scotch pine). Isolated from Pinus sylvestris (Scotch pine)
p-Mentha-2,4-diene
p-Mentha-2,4-diene is found in citrus. p-Mentha-2,4-diene is a constituent of Valencia orange oil. Constituent of Valencia orange oil. p-Mentha-2,4-diene is found in citrus.
Isolimonene
Isolimonene 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.
(+)-4-Carene
(+)-4-Carene belongs to the family of Cycloalkenes. These are compounds containing a non-aromatic closed ring of carbon atoms in which at least 2 atoms are connected by a double bond
beta-Terpinene
beta-Terpinene is found in cumin. beta-Terpinene is a constituent of Juniper and Myrica gale (bog myrtle) oils.The terpinenes are three isomeric hydrocarbons that are classified as terpenes. They each have the same molecular formula and carbon framework, but they differ in the position of carbon-carbon double bonds. alpha-Terpinene has been isolated from cardamom and marjoram oils, and from other natural sources. beta-Terpinene has no known natural source, but has been prepared synthetically from sabinene. gamma-Terpinene is natural and has been isolated from a variety of plant sources. (Wikipedia). Constituent of Juniper and Myrica gale (bog myrtle) oils
5-Isosylveterpinolene
5-Isosylveterpinolene is found in herbs and spices. 5-Isosylveterpinolene is a constituent of black pepper oil (Piper nigrum). Constituent of black pepper oil (Piper nigrum). 5-Isosylveterpinolene is found in herbs and spices.
alpha-Phellandrene
Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. Phellandrene is found in many foods, some of which are ceylon cinnamon, peppermint, anise, and dill. alpha-Phellandrene is found in allspice. Phellandrene is the name for a pair of organic compounds that have a similar molecular structure and similar chemical properties. alpha-Phellandrene and beta-phellandrene are cyclic monoterpenes and are double-bond isomers. The phellandrenes are used in fragrances because of their pleasing aromas. (Wikipedia
2,7,7-Trimethyl-bicyclo[2.2.1]hept-2-ene
2,7,7-Trimethyl-bicyclo[2.2.1]hept-2-ene belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
3-Methylene-1,5,5-trimethylcyclohexene
3-Methylene-1,5,5-trimethylcyclohexene belongs to the class of organic compounds known as cycloalkenes. These are compounds containing a non-aromatic closed ring of carbon atoms in which at least 2 atoms are connected by a double bond.
Adamantane
Adamantane, a polycyclic cage molecule with high symmetry and remarkable properties. Adamantane can be incorporated into a lipophilic part of the lipid bilayer that constitutes membranes and as an anchor in the lipid bilayer of liposomes. Adamantane can be used in research of surface recognition and drug delivery[1]. Adamantane, a polycyclic cage molecule with high symmetry and remarkable properties. Adamantane can be incorporated into a lipophilic part of the lipid bilayer that constitutes membranes and as an anchor in the lipid bilayer of liposomes. Adamantane can be used in research of surface recognition and drug delivery[1].
alpha-Pyronene
Alpha-pyronene, also known as alpha-pyronene, is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Alpha-pyronene can be found in dill, which makes alpha-pyronene a potential biomarker for the consumption of this food product. Alpha-pyronene, also known as α-pyronene, is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Alpha-pyronene can be found in dill, which makes alpha-pyronene a potential biomarker for the consumption of this food product.
gamma-Pinene
Gamma-pinene is also known as G-pinene. Gamma-pinene can be found in dill, which makes gamma-pinene a potential biomarker for the consumption of this food product.
Alloocimene I
Alloocimene i, also known as alloocimene, (e,z)-isomer, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Thus, alloocimene i is considered to be a hydrocarbon lipid molecule. Alloocimene i can be found in wild celery, which makes alloocimene i a potential biomarker for the consumption of this food product.
beta-Fenchene
Beta-fenchene 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. Beta-fenchene can be found in caraway and rosemary, which makes beta-fenchene a potential biomarker for the consumption of these food products.
(+)-m-Mentha-1(6),8-diene
(+)-m-mentha-1(6),8-diene is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain (+)-m-mentha-1(6),8-diene can be found in parsley, which makes (+)-m-mentha-1(6),8-diene a potential biomarker for the consumption of this food product.
beta-Thujene
Beta-thujene, also known as beta-thujene, 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. Beta-thujene can be found in rosemary, which makes beta-thujene a potential biomarker for the consumption of this food product. Beta-thujene, also known as β-thujene, 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. Beta-thujene can be found in rosemary, which makes beta-thujene a potential biomarker for the consumption of this food product.
Bornylene
Bornylene, also known as 1,7,7-trimethylbicyclo(2.2.1)hept-2-ene, is a member of the class of compounds known as polycyclic hydrocarbons. Polycyclic hydrocarbons are polycyclic organic compounds made up only of carbon and hydrogen atoms. Bornylene can be found in rosemary, which makes bornylene a potential biomarker for the consumption of this food product.
7,7-dimethyl-3-methylene-bicyclo[4.1.0]heptane
Flavouring compound [Flavornet]
(+)-beta-Phellandrene
A beta-phellandrene in which the chiral centre has S configuration.
Limonene
A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. Found in over 300 essential oils, the ==(R)==-form is the most widespread, followed by the racemate and then the (S)-form. Extensively used in the flavour industry [DFC] (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1].
α-phellandrene
One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic).
1,1-dimethyl-2-(3-methyl-1,3-buta-dienyl)cyclopropane
(+)-(1R,2S)-trans-1-(1-methylethenyl)-2-(2-methyl-1-propenyl)cyclopropane|(+)-(1S,2R)-rothrockene|(+)-trans-1-(1-methylethenyl)-2-(2-methyl-1-propenyl)-cyclopropane|(-)-rothrockene
ADAMANTANE
Adamantane, a polycyclic cage molecule with high symmetry and remarkable properties. Adamantane can be incorporated into a lipophilic part of the lipid bilayer that constitutes membranes and as an anchor in the lipid bilayer of liposomes. Adamantane can be used in research of surface recognition and drug delivery[1]. Adamantane, a polycyclic cage molecule with high symmetry and remarkable properties. Adamantane can be incorporated into a lipophilic part of the lipid bilayer that constitutes membranes and as an anchor in the lipid bilayer of liposomes. Adamantane can be used in research of surface recognition and drug delivery[1].
2-Methyl-nonan-2,6,8-trien|8-Methyl-nona-1,3,7-trien|8-methyl-nona-1,3,7-triene
Carene
(+)-car-3-ene is a car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6. It is an enantiomer of a (-)-car-3-ene. (+)-3-Carene is a natural product found in Molopospermum peloponnesiacum, Kippistia suaedifolia, and other organisms with data available.
TWCNAXRPQBLSNO-UWVGGRQHSA-N
Isolimonene is a monoterpene that is cyclohex-1-ene substituted by a methyl group at position 3 and a prop-1-en-2-yl group at position 6 respectively. It has a role as a plant metabolite and a human metabolite. It is a cycloalkene and a p-menthadiene. (3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene is a natural product found in Nicotiana tabacum with data available.
Sabinene
Sabinene is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite. Black pepper allergenic extract is used in allergenic testing. Laurus nobilis allergenic extract is used in allergenic testing. Nutmeg allergenic extract is used in allergenic testing. Sabinene is a natural product found in Teucrium montanum, Xylopia aromatica, and other organisms with data available. Carrot Seed Oil is the oil extracted from the seeds of Daucus carota. Carrot seed oil is primarily used in skin treatment preparations. A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. 4(10)-thujene, also known as sabinen or 1-isopropyl-4-methylenebicyclo[3.1.0]hexane, 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. 4(10)-thujene is a citrus, pepper, and pine tasting compound and can be found in a number of food items such as sweet orange, green bell pepper, pot marjoram, and parsley, which makes 4(10)-thujene a potential biomarker for the consumption of these food products. Sabinene is an naturally occurring bicyclic monoterpene which can be used as flavorings, perfume additives, fine chemicals, and advanced biofuels. Sabinene is also an orally active compound to attenuates skeletal muscle atrophy and regulates ROS-mediated MAPK/MuRF-1 pathways[1][2]. Sabinene is an naturally occurring bicyclic monoterpene which can be used as flavorings, perfume additives, fine chemicals, and advanced biofuels. Sabinene is also an orally active compound to attenuates skeletal muscle atrophy and regulates ROS-mediated MAPK/MuRF-1 pathways[1][2].
γ-Terpinene
γ-Terpinene, a monoterpene, is an orally active antioxidant compound which can scavenge radicals directly. γ-Terpinene has potent antinociception activity[1]. γ-Terpinene, a monoterpene, is an orally active antioxidant compound which can scavenge radicals directly. γ-Terpinene has potent antinociception activity[1].
(+)-limonene
Major constituent of oil of orange rind, dill oil, oil of cumin, bergamot, caraway, lemon balm and lemon. obtained comly. from orange oil on a large scale (ca. 50000 T/a). Flavouring agent. Nutriceutical with anticancer props. (R)-Limonene is found in many foods, some of which are citrus, nutmeg, guava, and cardamom.
(R)-(+)-limonene
1 micro litter of limonene (liquid) was placed on glass capillary.; (R)-(+)-Limonene was purchased from Wako 124-03892.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.; Direct analysis in real time (DART) is a method of atmospheric pressure chemical ionization (APCI). Protons, H+, generated by glow discharge ionization (-5 kV) of the He gas in the ionization chamber, DART-SVP (IonSense Inc., MA, USA), were major reactant ions for the chemical ionization of samples.; The interface introducing the product ions to the mass spectrometer was Vapur Interface (AMR. Inc., Tokyo, Japan). The pressure in the interface was 710 Torr (96.3 kPa). One micro litter of the liquid sample was dropped in a 10 mL glass vial. The vial was placed under the DART ion source.; (R)-(+)-Limonene was purchased from Wako 124-03892.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.; Direct analysis in real time (DART) is a method of atmospheric pressure chemical ionization (APCI). Protons, H+, generated by glow discharge ionization (- 5 kV) of the He gas in the ionization chamber, DART-SVP (IonSense Inc., MA, USA), were major reactant ions for the chemical ionization of samples.; The interface introducing the product ions to the mass spectrometer was Vapur Interface (AMR. Inc., Tokyo, Japan). The pressure in the interface was 710 Torr (96.3 kPa).
(-)-limonene
(-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1].
(Z)-beta-ocimene
A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer).
β-Phellandrene
β-Phellandrene is obtained from Carum petroselinum. β-Phellandrene can be used to essential oil additives[1]. β-Phellandrene is obtained from Carum petroselinum. β-Phellandrene can be used to essential oil additives[1].
(E)-beta-ocimene
A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer).
(+)-sabinene
Constituent of Myristica fragrans (nutmeg). (+)-4(10)-Thujene is found in many foods, some of which are common sage, nutmeg, turmeric, and herbs and spices.
(-)-Car-4-ene
A monoterpene that is bicyclo[4.1.0]hept-2-ene substituted by methyl groups at positions 4, 7 and 7 respectively (the 1R,4S,6S-stereoisomer).
Phenyltrimethylammonium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Fluoroethylcholine ion F-18
C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
(+)-3-Carene
Widespread plant product, found especies in turpentine oils (from Pinus subspecies) and oil of galbanum. (+)-alpha-Carene is found in sweet marjoram and herbs and spices.
α-Pinene
A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1].
Myrcene
Myrcene (β-Myrcene), an aromatic volatile compound, suppresses TNFα-induced NF-κB activity. Myrcene has anti-invasive effect[1][2]. Myrcene (β-Myrcene), an aromatic volatile compound, suppresses TNFα-induced NF-κB activity. Myrcene has anti-invasive effect[1][2].
Moslene
γ-Terpinene, a monoterpene, is an orally active antioxidant compound which can scavenge radicals directly. γ-Terpinene has potent antinociception activity[1]. γ-Terpinene, a monoterpene, is an orally active antioxidant compound which can scavenge radicals directly. γ-Terpinene has potent antinociception activity[1].
80605_FLUKA
(1R)-α-Pinene is a volatile monoterpene with antimicrobial activities. (1R)-α-Pinene reduces Bacillus cereus population growth, and exhibits repellent effects[1][2]. (1R)-α-Pinene is a volatile monoterpene with antimicrobial activities. (1R)-α-Pinene reduces Bacillus cereus population growth, and exhibits repellent effects[1][2].
Terpilene
α-Terpinene (Terpilene) is a monoterpene found in the essential oils of a large variety of foods and aromatic plants such as Mentha piperita. α-Terpinene is active against Trypanosoma evansi and has the potential for trypanosomosis treatment. α-Terpinene has antioxidant and antifungal properties[1][2][3][4]. α-Terpinene (Terpilene) is a monoterpene found in the essential oils of a large variety of foods and aromatic plants such as Mentha piperita. α-Terpinene is active against Trypanosoma evansi and has the potential for trypanosomosis treatment. α-Terpinene has antioxidant and antifungal properties[1][2][3][4].
(+)-4-Carene
(+)-4-carene 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 (+)-4-carene can be found in rosemary, which makes (+)-4-carene a potential biomarker for the consumption of this food product (+)-4-carene can be found primarily in urine. (+)-4-Carene belongs to the family of Cycloalkenes. These are compounds containing a non-aromatic closed ring of carbon atoms in which at least 2 atoms are connected by a double bond
2,6-Dimethyl-2,4,6-octatriene
2,6-dimethyl-2,4,6-octatriene, also known as alloocimene, (e,z)-isomer or allo-ocimene, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. 2,6-dimethyl-2,4,6-octatriene can be found in parsnip, sweet basil, and tarragon, which makes 2,6-dimethyl-2,4,6-octatriene a potential biomarker for the consumption of these food products. 2,6-dimethyl-2,4,6-octatriene can be found primarily in saliva. 2,6-Dimethyl-2,4,6-octatriene belongs to the class of organic compounds known as alkatrienes. These are hydrocarbons that contain exactly three carbon-to-carbon double bonds.
(S)-Limonene
Constituent of pine needle oiland is) also present in ginger, nutmeg, pepper, mace, coriander and other herbs and spices. (S)-Limonene is found in many foods, some of which are fennel, caraway, cardamom, and herbs and spices. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1]. (-)-Limonene ((S)-(-)-Limonene) is a monoterpene found in citrus plants like lemon, orange, and grape. (-)-Limonene can induce a mild bronchoconstrictive effect[1].
(-)-α-Pinene
alpha-Pinene is an organic compound of the terpene class, one of two isomers of pinene. It is found in the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis). Both enantiomers are known in nature; 1S,5S- or (-)-alpha-pinene is more common in European pines, whereas the 1R,5R- or (+)-alpha-isomer is more common in North America. The racemic mixture is present in some oils such as eucalyptus oil. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1]. (-)-α-Pinene is a monoterpene and shows sleep enhancing property through a direct binding to GABAA-benzodiazepine (BZD) receptors by acting as a partial modulator at the BZD binding site[1].
(+)-Camphene
A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils.
(+)-Camphene
A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has R configuration at position 1 and S configuration at position 4.
(-)-beta-Phellandrene
A beta-phellandrene in which the chiral centre has R configuration.
(+)-alpha-Phellandrene
The (5S)-stereoisomer of alpha-phellandrene (5-isopropyl-2-methylcyclohexa-1,3-diene).
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-
(4E,6E)-2,6-dimethylocta-2,4,6-triene
An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer).
Isolimonene
A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 3 and a prop-1-en-2-yl group at position 6 respectively.
(1s,4s,5s)-1-isopropyl-4-methylbicyclo[3.1.0]hex-2-ene
1-(2-methylprop-1-en-1-yl)-2-(prop-1-en-2-yl)cyclopropane
(1r,4r)-2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane
(1r,2r,5s,7r)-6,6,7-trimethyltricyclo[3.2.0.0²,⁷]heptane
1,1,2-trimethyl-3-(2-methylprop-1-enylidene)cyclopropane
{"Ingredient_id": "HBIN000305","Ingredient_name": "1,1,2-trimethyl-3-(2-methylprop-1-enylidene)cyclopropane","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1C(=C=C(C)C)C1(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40718","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,1-Dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane
{"Ingredient_id": "HBIN000409","Ingredient_name": "1,1-Dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane","Alias": "1,1-dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane","Ingredient_formula": "C10H16","Ingredient_Smile": "CC(=C)C=CC1CC1(C)C","Ingredient_weight": "136.26","OB_score": "21.12418684","CAS_id": "NA","SymMap_id": "SMIT00893","TCMID_id": "6370","TCMSP_id": "MOL004007","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,1-dimethyl-2(3-methyl-1,3-butadienyl)-cyclopropane
{"Ingredient_id": "HBIN000410","Ingredient_name": "1,1-dimethyl-2(3-methyl-1,3-butadienyl)-cyclopropane","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC(=C)C=CC1CC1(C)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9634","PubChem_id": "5316892","DrugBank_id": "NA"}
1,2- diisopropenylcyclobutane
{"Ingredient_id": "HBIN000811","Ingredient_name": "1,2- diisopropenylcyclobutane","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC(=C)C1CCC1C(=C)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41144","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "549388","DrugBank_id": "NA"}
1,4-cyclohexadiene,1-methyl-4-[1-methylethyl]-
{"Ingredient_id": "HBIN001399","Ingredient_name": "1,4-cyclohexadiene,1-methyl-4-[1-methylethyl]-","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC(=CC1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40382","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,5,5-Trimethyl-6-methylene-cyclohexene
{"Ingredient_id": "HBIN001588","Ingredient_name": "1,5,5-Trimethyl-6-methylene-cyclohexene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCCC(C1=C)(C)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40843","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "578237","DrugBank_id": "NA"}
1-β-pinene
{"Ingredient_id": "HBIN002420","Ingredient_name": "1-\u03b2-pinene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1(C2CCC(=C)C1C2)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1- camphene
{"Ingredient_id": "HBIN002432","Ingredient_name": "1- camphene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1(C2CCC(C2)C1=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41398","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1- limonene
{"Ingredient_id": "HBIN002686","Ingredient_name": "1- limonene","Alias": "1-limonene","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC(CC1)C(=C)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41399;34104","TCMSP_id": "NA","TCM_ID_id": "9175","PubChem_id": "NA","DrugBank_id": "NA"}
1-methyl-4-(1-methylethyl)-Cyclohexen
{"Ingredient_id": "HBIN002776","Ingredient_name": "1-methyl-4-(1-methylethyl)-Cyclohexen","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC(=C(C)C)CC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-methyl-4-methylethenylcyclohexene
{"Ingredient_id": "HBIN002782","Ingredient_name": "1-methyl-4-methylethenylcyclohexene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC=CC1CCC(=CC1)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14591","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1R-2,6,6- trimethyl-bicyclo [3.1.1]-2-heptene
{"Ingredient_id": "HBIN003028","Ingredient_name": "1R-2,6,6- trimethyl-bicyclo [3.1.1]-2-heptene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2CC1C2(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41602","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1R-α- pinene
{"Ingredient_id": "HBIN003169","Ingredient_name": "1R-\u03b1- pinene","Alias": "1R-\u03b1-pinene","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2CC1C2(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38803;40297","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1R-alpha.-Pinene
{"Ingredient_id": "HBIN003170","Ingredient_name": "1R-alpha.-Pinene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2CC1C2(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38121","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1S,3R)-CIS-carene
{"Ingredient_id": "HBIN003250","Ingredient_name": "(1S,3R)-CIS-carene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1CC2C(C2(C)C)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42852","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s)-(-)-alpha-pinene
{"Ingredient_id": "HBIN003322","Ingredient_name": "(1s)-(-)-alpha-pinene ","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2CC1C2(C)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21330","PubChem_id": "12223112","DrugBank_id": "NA"}
(1Z,5Z)-cyclodeca-1,5-diene
{"Ingredient_id": "HBIN003374","Ingredient_name": "(1Z,5Z)-cyclodeca-1,5-diene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "NA","Ingredient_weight": "136.23","OB_score": "46.76920633","CAS_id": "17755-14-5","SymMap_id": "SMIT10782","TCMID_id": "NA","TCMSP_id": "MOL009692","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4,6-octatriene,3,4- dimethyl
{"Ingredient_id": "HBIN004241","Ingredient_name": "2,4,6-octatriene,3,4- dimethyl","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC=CC=C(C)C(=CC)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42894","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5371124","DrugBank_id": "NA"}
27400-71-1
{"Ingredient_id": "HBIN004994","Ingredient_name": "27400-71-1","Alias": "1,3,2-Octatriene, 3,7-dimethyl-, (Z)-; (3Z,5E)-3,7-dimethylocta-1,3,5-triene","Ingredient_formula": "C10H16","Ingredient_Smile": "CC(C)C=CC=C(C)C=C","Ingredient_weight": "136.23 g/mol","OB_score": "19.49350797","CAS_id": "27400-71-1","SymMap_id": "SMIT10933","TCMID_id": "NA","TCMSP_id": "MOL009851","TCM_ID_id": "NA","PubChem_id": "6436632","DrugBank_id": "NA"}
()-2-Carene
{"Ingredient_id": "HBIN005451","Ingredient_name": "()-2-Carene","Alias": "Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S,6R)-; EINECS 224-792-4; (1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene; (1S-cis)-3,7,7-Trimethylbicyclo(4.1.0)hept-2-ene; 21984_FLUKA; 232386_ALDRICH; 1415-99-2; (+)-2-Carene; (1S)-3,7,7-Trimethylbicyclo[4.1.0]hept-2-ene; 4497-92-1","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CC2C(C2(C)C)CC1","Ingredient_weight": "136.23","OB_score": "46.69280884","CAS_id": "1415-99-2","SymMap_id": "SMIT02823","TCMID_id": "NA","TCMSP_id": "MOL000168","TCM_ID_id": "NA","PubChem_id": "12302457","DrugBank_id": "NA"}
3,4-Dimethyl-2,4,6-octatriene
{"Ingredient_id": "HBIN007440","Ingredient_name": "3,4-Dimethyl-2,4,6-octatriene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC=CC=C(C)C(=CC)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41027","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5371124","DrugBank_id": "NA"}
3,6,6-trimethyl-bicyclo[3,1,1]hept-2-ene
{"Ingredient_id": "HBIN007692","Ingredient_name": "3,6,6-trimethyl-bicyclo[3,1,1]hept-2-ene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2C(C1)C2(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32141","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3E)-Dec-3-en-1-yne
{"Ingredient_id": "HBIN008459","Ingredient_name": "(3E)-Dec-3-en-1-yne","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CCCCCCC=CC#C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39192","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-isopropylidene-5-methylhexa-1,4-diene
{"Ingredient_id": "HBIN008775","Ingredient_name": "3-isopropylidene-5-methylhexa-1,4-diene","Alias": "5-methyl-3-propan-2-ylidenehexa-1,4-diene; 3-isopropylidene-5-methyl-hexa-1,4-diene; 5-methyl-3-propan-2-ylidene-hexa-1,4-diene; 1,4-Hexadiene, 5-methyl-3-(1-methylethylidene)-; 5-Methyl-3-(1-methylethylidene)-1,4-hexadiene","Ingredient_formula": "C10H16","Ingredient_Smile": "CC(=CC(=C(C)C)C=C)C","Ingredient_weight": "136.23 g/mol","OB_score": "52.82506012","CAS_id": "NA","SymMap_id": "SMIT05973","TCMID_id": "NA","TCMSP_id": "MOL003980","TCM_ID_id": "NA","PubChem_id": "578220","DrugBank_id": "NA"}
4-Carene,(1S,3 R,6R)-(- )-
{"Ingredient_id": "HBIN010292","Ingredient_name": "4-Carene,(1S,3 R,6R)-(- )-","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1CC2C(C2(C)C)C=C1","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42959","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "16211586","DrugBank_id": "NA"}
5,5- dimethyl-2- propyl-1,3- cyclopentadiene
{"Ingredient_id": "HBIN011075","Ingredient_name": "5,5- dimethyl-2- propyl-1,3- cyclopentadiene","Alias": "5,5-dimethyl-2-propyl-1,3- cyclopentadiene","Ingredient_formula": "C10H16","Ingredient_Smile": "CCCC1=CC(C=C1)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40837;40836","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,6-dimethyl-3-methylene bicyclo[3.1.1]-heptane
{"Ingredient_id": "HBIN012041","Ingredient_name": "6,6-dimethyl-3-methylene bicyclo[3.1.1]-heptane","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1(C2CC1CC(=C)C2)C","Ingredient_weight": "136.23 g/mol","OB_score": "49.3514594","CAS_id": "NA","SymMap_id": "SMIT07438","TCMID_id": "NA","TCMSP_id": "MOL005717","TCM_ID_id": "NA","PubChem_id": "564541","DrugBank_id": "NA"}
(A)limonene
{"Ingredient_id": "HBIN015130","Ingredient_name": "(A)limonene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC(CC1)C(=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36544","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alpha-terinene
{"Ingredient_id": "HBIN015695","Ingredient_name": "alpha-terinene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CC=C(CC1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25186","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-Terpinolene 0.24
{"Ingredient_id": "HBIN015711","Ingredient_name": "\u03b1-Terpinolene 0.24","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC(=C(C)C)CC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35213","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α- thujene
{"Ingredient_id": "HBIN015723","Ingredient_name": "\u03b1- thujene","Alias": "\u03b1-thujene; alpha-thujene","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2(C1C2)C(C)C","Ingredient_weight": "136.23 g/mol","OB_score": "NA","CAS_id": "2867/5/2","SymMap_id": "NA","TCMID_id": "39835;35303","TCMSP_id": "NA","TCM_ID_id": "6862;17604","PubChem_id": "6451618","DrugBank_id": "NA"}
a- pinene
{"Ingredient_id": "HBIN016488","Ingredient_name": "a- pinene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CCC2CC1C2(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33496","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
A-terpinolene
{"Ingredient_id": "HBIN017274","Ingredient_name": "A-terpinolene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1=CC=C(CC1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34457","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-fenchene
{"Ingredient_id": "HBIN018117","Ingredient_name": "\u03b2-fenchene","Alias": "beta-fenchene; beta-Fenchene","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1(CC2CC1C(C2=C)(C)C)C","Ingredient_weight": "136.26","OB_score": "39.16065976","CAS_id": "NA","SymMap_id": "SMIT00571;SMIT07183","TCMID_id": "30957;7749","TCMSP_id": "MOL004721;MOL005422","TCM_ID_id": "6287","PubChem_id": "NA","DrugBank_id": "NA"}
(-)- β- pinene
{"Ingredient_id": "HBIN018240","Ingredient_name": "(-)- \u03b2- pinene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1(C2CCC(=C)C1C2)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36845","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta.-Thujene
{"Ingredient_id": "HBIN018342","Ingredient_name": "beta.-Thujene","Alias": "NA","Ingredient_formula": "C10H16","Ingredient_Smile": "CC1C=CC2(C1C2)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38551","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
