Exact Mass: 222.1619712
Exact Mass Matches: 222.1619712
Found 500 metabolites which its exact mass value is equals to given mass value 222.1619712,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Beta-eudesmol
Beta-eudesmol is a carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). It has a role as a volatile oil component. It is a carbobicyclic compound, a tertiary alcohol and a eudesmane sesquiterpenoid. beta-Eudesmol is a natural product found in Rhododendron calostrotum, Rhododendron lepidotum, and other organisms with data available. See also: Arctium lappa Root (part of); Cannabis sativa subsp. indica top (part of); Pterocarpus marsupium wood (part of). A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). Beta-Eudesmol is a natural oxygenated sesquiterpene, activates hTRPA1, with an EC50 of 32.5 μM. Beta-Eudesmol increases appetite through TRPA1[1]. Beta-Eudesmol is a natural oxygenated sesquiterpene, activates hTRPA1, with an EC50 of 32.5 μM. Beta-Eudesmol increases appetite through TRPA1[1].
(-)-alpha-Bisabolol
(-)-alpha-Bisabolol is a sesquiterpenoid. Bisabolol, or more formally α-(−)-bisabolol or also known as levomenol, (-)-alpha-Bisabolol is found in fats and oils. (-)-alpha-Bisabolol is isolated from essential oil of Matricaria chamomilla (German chamomile) (-)-alpha-Bisabolol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units. Levomenol is a natural product found in Santolina pectinata, Carthamus glaucus, and other organisms with data available. See also: Chamomile (part of); Adenosine; levomenol (component of); Adenosine; Ascorbic Acid; LEVOMENOL (component of) ... View More ... (-)-alpha-Bisabolol is found in fats and oils. (-)-alpha-Bisabolol is isolated from essential oil of Matricaria chamomilla (German chamomile). alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2]. alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2]. Levomenol ((-)-α-Bisabolol), a monocyclic sesquiterpene alcohol, exerts antioxidant, anti-inflammatory, and anti-apoptotic activities. Levomenol also has neuroprotective effects and prevents neuronal damage and memory deficits through reduction of proinflammatory markers induced by permanent focal cerebral ischemia in mice. Levomenol attenuates nociceptive behaviour and central sensitisation in a rodent model of trigeminal neuropathic pain. Orally active[1][2]. Levomenol ((-)-α-Bisabolol), a monocyclic sesquiterpene alcohol, exerts antioxidant, anti-inflammatory, and anti-apoptotic activities. Levomenol also has neuroprotective effects and prevents neuronal damage and memory deficits through reduction of proinflammatory markers induced by permanent focal cerebral ischemia in mice. Levomenol attenuates nociceptive behaviour and central sensitisation in a rodent model of trigeminal neuropathic pain. Orally active[1][2].
Globulol
Ledol is a sesquiterpenoid. Ledol is a natural product found in Waitzia acuminata, Aloysia gratissima, and other organisms with data available. Ledol is found in allspice. Ledol is a constituent of Valeriana officinalis (valerian), Piper species and others. Constituent of Eucalyptus globulus (Tasmanian blue gum). Globulol is found in allspice and pepper (spice). Ledol ((+)-Ledol) is an antifungal agent that can be isolated from the essential oil fractions of Rhododendron tomentosum. Ledol is also the expectorant and antitussive agent, which is simultaneously responsible for adverse reactions such as dizziness, nausea and vomiting[1]. Ledol ((+)-Ledol) is an antifungal agent that can be isolated from the essential oil fractions of Rhododendron tomentosum. Ledol is also the expectorant and antitussive agent, which is simultaneously responsible for adverse reactions such as dizziness, nausea and vomiting[1].
hinesol
Hinesol is a sesquiterpenoid. (-)-Hinesol is a natural product found in Psidium guajava, Cistus creticus, and other organisms with data available.
Cedorol
Cedrol, also known as alpha-cedrol or (+)-cedrol, is a member of the class of compounds known as cedrane and isocedrane sesquiterpenoids. Cedrane and isocedrane sesquiterpenoids are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Thus, cedrol is considered to be an isoprenoid lipid molecule. Cedrol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cedrol can be found in ginger, which makes cedrol a potential biomarker for the consumption of this food product. Cedrol is a sesquiterpene alcohol found in the essential oil of conifers (cedar oil), especially in the genera Cupressus (cypress) and Juniperus (juniper). It has also been identified in Origanum onites, a plant related to oregano. Its main uses are in the chemistry of aroma compounds. It makes up about 19\\\\% of cedarwood oil Texas and 15.8\\\\% of cedarwood oil Virginia . Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2]. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2].
Guaiol
Guaiol is a guaiane sesquiterpenoid. Guaiol is a natural product found in Philotheca fitzgeraldii, Aristolochia asclepiadifolia, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of). Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities[1][2][3]. Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities[1][2][3].
Farnesol
Farnesol is a signaling molecule that is derived from farnesyl diphosphate, an intermediate in the isoprenoid/cholesterol biosynthetic pathway. Farnesol is a 15 carbon isoprenoid alcohol is the corresponding dephosphorylated form of the isoprenoid farnesyl diphosphate. Farnesol has a potential role in controlling the degradation of 3-hydroxy-3-methylglutaryl coenzyme A (HMGCoA) reductase (EC 1.1.1.34, NADPH-hydroxymethylglutaryl-CoA reductase). The enzyme is stabilized under conditions of cellular sterol depletion (e.g. statin-treated cells) and rapidly degraded in sterol-loaded cells. In mammalian cells, this enhanced degradation is dependent on the presence of both a sterol and a non-sterol derived from the isoprenoid pathway; farnesol, the dephosphorylated form of farnesyl diphosphate, can function as the non-sterol component. Farnesol has been shown to activate the farnesoid receptor (FXR), a nuclear receptor that forms a functional heterodimer with RXR. Thus, dephosphorylation of farnesyl diphosphate, an intermediate in the cholesterol synthetic pathway, might produce an active ligand for the FXR:RXR heterodimer. The physiological ligand for FXR remains to be identified; farnesol, may simply mimic the unidentified natural ligand(s). In addition, exogenous farnesol have an effect on several other physiological processes, including inhibition of phosphatidylcholine biosynthesis, induction of apoptosis, inhibition of cell cycle progression and actin cytoskeletal disorganization. Farnesol cellular availability is an important determinant of vascular tone in animals and humans, and provides a basis for exploring farnesyl metabolism in humans with compromised vascular function as well as for using farnesyl analogues as regulators of arterial tone in vivo. A possible metabolic fate for farnesol is its conversion to farnesoic acid, and then to farnesol-derived dicarboxylic acids (FDDCAs) which would then be excreted in the urine. Farnesol can also be oxidized to a prenyl aldehyde, presumably by an alcohol dehydrogenase (ADH), and that this activity resides in the mitochondrial and peroxisomal. Liver Endoplasmic reticulum and peroxisomal fractions are able to phosphorylate farnesol to Farnesyl diphosphate in a Cytosine triphosphate dependent fashion. (PMID: 9812197, 8636420, 9083051, 9015362). Prenol is polymerized by dehydration reactions; when there are at least four isoprene units (n in the above formula is greater than or equal to four), the polymer is called a polyprenol. Polyprenols can contain up to 100 isoprene units (n=100) linked end to end with the hydroxyl group (-OH) remaining at the end. These isoprenoid alcohols are also called terpenols These isoprenoid alcohols are important in the acylation of proteins, carotenoids, and fat-soluble vitamins A, E and K. They are also building blocks for plant oils such as farnesol and geraniol. Prenol is also a building block of cholesterol (built from six isoprene units), and thus of all steroids. Prenol has sedative properities, it is probably GABA receptor allosteric modulator.When the isoprene unit attached to the alcohol is saturated, the compound is referred to as a dolichol. Dolichols are important as glycosyl carriers in the synthesis of polysaccharides.(Wikipedia). C26170 - Protective Agent > C275 - Antioxidant Component of many flower absolutes [CCD] Farnesol is a colorless liquid with a delicate floral odor. (NTP, 1992) Farnesol is a farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. It has a role as a plant metabolite, a fungal metabolite and an antimicrobial agent. It is a farnesane sesquiterpenoid, a primary alcohol and a polyprenol. trans,trans-Farnesol is a natural product found in Lonicera japonica, Psidium guajava, and other organisms with data available. (2-trans,6-trans)-Farnesol is a metabolite found in or produced by Saccharomyces cerevisiae. A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed) Farnesol is a sesquiterpene alcohol that modulates cell-to-cell communication in Candida albicans, and has the activity in inhibiting bacteria. Farnesol is a sesquiterpene alcohol that modulates cell-to-cell communication in Candida albicans, and has the activity in inhibiting bacteria.
zectran
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
(3S,6E)-Nerolidol
(3S,6E)-Nerolidol, also known as nerolidol or peruviol, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Thus, (3S,6E)-nerolidol is considered to be an isoprenoid lipid molecule. (3S,6E)-Nerolidol is an isomer of nerolidol, a naturally occurring sesquiterpene found in the essential oils of many types of plants and flowers. An isomer of nerolidol, a naturally occurring sesquiterpene found in the essential oils of many types of plants and flowers [Wikipedia] Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1].
alpha-Cadinol
alpha-Cadinol is found in cloves. alpha-Cadinol is a constituent of Juniperus communis (juniper)
beta-Caryophyllene alcohol
Constituent of grapefruit juice, pimento berry, Korean chamchwi and the essential oils of Palmarosa, peppermint, clove, hop, pepper, bergamot and Sicilian sumac fruit (Rhus coriaria). Flavouring ingredient either alone or together with a-Caryophyllene alcohol
Kobusone
Kobusone is found in root vegetables. Kobusone is a constituent of Cyperus rotundus (nutgrass). Also in lavender oil. Constituent of Cyperus rotundus (nutgrass)and is) also in lavender oil. Kobusone is found in root vegetables.
Epicubenol
1alpha-4-Cadinen-1-ol is found in cloves. 1alpha-4-Cadinen-1-ol is a constituent of oil of cubeb pepper (Piper cubeba). Constituent of cubeb pepper (Piper cubeba) oil. Epicubenol is found in herbs and spices.
Carotol
Carotol is found in carrot. Carotol is a constituent of Daucus carota (carrot) Carotol was first isolated by scientists Asahina and Tsukamoto in 1925. It is one of the primary components found in carrot seed oil comprising approximately 40\\% of this essential oil. This sesquiterpene alcohol is thought to be formed in carrot seeds (Daucus carota L., Umbelliferae) during the vegetation period. Additionally, studies have shown that carotol may be involved in allelopathic interactions expressing activity as a antifungal, herbicidal and insecticidal agent. It has been proposed that there is a direct cyclisation of farnesyl pyrophosphate (FPP) to the carotol (carotane backbone). This type of cyclisation is unconventional for the typical chemistry of sesquiterpenes. The only other proposed mechanism requires a complex ten-membered ring with a methyl migration. This later reaction, regardless of how plausible it may appear to be on paper, is energetically undesired and through the diligent work of M. Soucek and coworkers it was shown that the cyclization from FPP to carotol is the most probable biosynthesis route. Constituent of Daucus carota (carrot)
alpha-eudesmol
A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4.
Himachalol
Patchouli alcohol
Patchouli alcohol is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Patchouli alcohol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Patchouli alcohol is a camphor, earthy, and patchouli tasting compound found in ginger, which makes patchouli alcohol a potential biomarker for the consumption of this food product. Patchoulol or patchouli alcohol (C15H26O) is a sesquiterpene alcohol found in patchouli. Patchouli oil is an important material in perfumery. The (‚àí)-optical isomer is one of the organic compounds responsible for the typical patchouli scent. Patchoulol is also used in the synthesis of the chemotherapy drug Taxol . Patchouli alcohol is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Patchouli alcohol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Patchouli alcohol is a camphor, earthy, and patchouli tasting compound found in ginger, which makes patchouli alcohol a potential biomarker for the consumption of this food product. Patchoulol or patchouli alcohol (C15H26O) is a sesquiterpene alcohol found in patchouli. Patchouli oil is an important material in perfumery. The (−)-optical isomer is one of the organic compounds responsible for the typical patchouli scent. Patchoulol is also used in the synthesis of the chemotherapy drug Taxol . Patchouli alcohol is a natural tricyclic sesquiterpene extracted from Pogostemon cablin (Blanco) Benth, and exhibits anti-Helicobacter pylori and anti-inflammatory properties[1]. Patchouli alcohol is a natural tricyclic sesquiterpene extracted from Pogostemon cablin (Blanco) Benth, and exhibits anti-Helicobacter pylori and anti-inflammatory properties[1].
Rishitin
Constituent of the tubers of white potatoes (Solanum subspecies) infected by Phytophthora infestans. Rishitin is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, red bell pepper, and garden tomato (variety). Rishitin is found in alcoholic beverages. Rishitin is a constituent of the tubers of white potatoes (Solanum species) infected by Phytophthora infestans
3-Hydroxymonoethylglycinexylidide
3-Hydroxymonoethylglycinexylidide is a metabolite of lidocaine. Lidocaine, Xylocaine, or lignocaine is a common local anesthetic and antiarrhythmic drug. Lidocaine is used topically to relieve itching, burning and pain from skin inflammations, injected as a dental anesthetic or as a local anesthetic for minor surgery. (Wikipedia)
(-)-Valeranone
(-)-valeranone, also known as (-)-jatamansone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (-)-valeranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (-)-valeranone can be found in common sage, which makes (-)-valeranone a potential biomarker for the consumption of this food product. (-)-Valeranone is found in fats and oils. (-)-Valeranone is a constituent of the roots of Valeriana officinalis (valerian).
Isokobusone
Isokobusone is found in root vegetables. Isokobusone is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). Isokobusone is found in root vegetables.
(+)-corvol ether B
10-Epijunenol
Junenol is found in alcoholic beverages. Junenol is a constituent of the juniper berry (Juniperus communis) Constituent of galbanum resin. 10-Epijunenol is found in herbs and spices.
(+)-(2S,3R,9R)-pristinol
A bicyclic sesquiterpenoid that is 2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol carrying four additional methyl substiuents at positions 1, 4, 8 and 8.
(Z)-Farnesol
(z)-farnesol, also known as 2-cis,6-trans-farnesol or (z,e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (z)-farnesol is considered to be an isoprenoid lipid molecule (z)-farnesol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (z)-farnesol can be found in linden, which makes (z)-farnesol a potential biomarker for the consumption of this food product. (Z)-Farnesol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
10-epi-gamma-eudesmol
Flavouring compound [Flavornet]
alpha-Bisabolol
alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2]. alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2].
(3R,6E)-nerolidol
A (6E)-nerolidol in which the hydroxy group at positon 3 adopts an R-configuration. It is a fertility-related volatile compound secreted by the queens of higher termites from the subfamily Syntermitinae. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1].
Cedrelanol
A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10.
7-epi-alpha-Eudesmol
A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4.
epi-cedrol
The 8S-epimer of cedrol.
(1R,4S,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
2-[(1R,2R,8R)-1,8-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-ol
Stirrup
C26170 - Protective Agent > C275 - Antioxidant Acquisition and generation of the data is financially supported in part by CREST/JST. Farnesol is a sesquiterpene alcohol that modulates cell-to-cell communication in Candida albicans, and has the activity in inhibiting bacteria. Farnesol is a sesquiterpene alcohol that modulates cell-to-cell communication in Candida albicans, and has the activity in inhibiting bacteria. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. trans-Nerolidol is a sesquiterpene alcohol. It can be isolated from f aerial parts of Warionia saharae ex Benth. trans-Nerolidol improves the anti-proliferative effect of Doxorubicin (HY-15142A) against intestinal cancer cells in vitro. trans-Nerolidol also has anti-fungal activity[1][2]. trans-Nerolidol is a sesquiterpene alcohol. It can be isolated from f aerial parts of Warionia saharae ex Benth. trans-Nerolidol improves the anti-proliferative effect of Doxorubicin (HY-15142A) against intestinal cancer cells in vitro. trans-Nerolidol also has anti-fungal activity[1][2].
Bulnesol
Bulnesol is found in herbs and spices. Bulnesol is a constituent of guaiac wood oil (Bulnesia sarmienti). Also from Ferula species. Constituent of guaiac wood oil (Bulnesia sarmienti)and is) also from Ferula subspecies Bulnesol is found in herbs and spices. Bulnesol is a natural product found in Salvia dorystaechas, Rhanterium epapposum, and other organisms with data available.
Cedrol
Cedrol is a cedrane sesquiterpenoid and a tertiary alcohol. Cedrol is a natural product found in Xylopia aromatica, Widdringtonia whytei, and other organisms with data available. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2]. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2].
Nerolidol
A component of many essential oils. The (S)-enantiomer is the commoner and occurs mostly as the (S)-(E)-isomer. Flavouring agent. Nerolidol is found in many foods, some of which are coriander, sweet basil, roman camomile, and sweet orange. Nerolidol is found in bitter gourd. Nerolidol is a component of many essential oils. The (S)-enantiomer is the commoner and occurs mostly as the (S)-(E)-isomer. Nerolidol is a flavouring agent Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1].
Humulol
Constituent of hop oil. Humulol is found in alcoholic beverages and fats and oils. Humulol is found in alcoholic beverages. Humulol is a constituent of hop oil.
6-Epi-beta-bisabolol
6-Epi-beta-bisabolol is found in citrus. 6-Epi-beta-bisabolol is a constituent of bergamot oil Constituent of bergamot oil. 6-Epi-beta-bisabolol is found in citrus.
Valerianol
Constituent of the root of Valeriana officinalis (valerian). Valerianol is found in tea, fats and oils, and herbs and spices. Valerianol is found in fats and oils. Valerianol is a constituent of the root of Valeriana officinalis (valerian)
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one is found in green vegetables. (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one is a constituent of Petasites japonicus ssp. giganteus (Japanese butterbur). Constituent of Petasites japonicus sspecies giganteus (Japanese butterbur). (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one is found in green vegetables.
(-)-Pacifigorgiol
Constituent of Valeriana officinalis (valerian). (-)-Pacifigorgiol is found in tea, fats and oils, and herbs and spices. (-)-Pacifigorgiol is found in fats and oils. (-)-Pacifigorgiol is a constituent of Valeriana officinalis (valerian)
Isointermedeol
Constituent of Cymbopogon flexuosus (East Indian lemongrass). Isointermedeol is found in herbs and spices. Intermedeol is found in citrus. Intermedeol is a constituent of Citrus species.
Maalialcohol
Constituent of Valeriana officinalis (valerian). Maalialcohol is found in tea, fats and oils, and herbs and spices. Maalialcohol is found in fats and oils. Maalialcohol is a constituent of Valeriana officinalis (valerian).
Shyobunol
Shyobunol is found in herbs and spices. Shyobunol is a constituent of a Galbanum absolute Constituent of a Galbanum absolute. Shyobunol is found in herbs and spices.
(6Z,9Z)-6,9-Pentadecadien-2-one
(6Z,9Z)-6,9-Pentadecadien-2-one is found in fruits. (6Z,9Z)-6,9-Pentadecadien-2-one is a constituent of Lindera benzoin (spicebush). Constituent of Lindera benzoin (spicebush). (6Z,9Z)-6,9-Pentadecadien-2-one is found in tea, herbs and spices, and fruits.
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne is a constituent of Artemisia vulgaris (mugwort)
Sesquisabinene hydrate
Sesquisabinene hydrate is found in ginger. Sesquisabinene hydrate is isolated from essential oil of Zingiber officinale (ginger). Isolated from essential oil of Zingiber officinale (ginger). Sesquisabinene hydrate is found in herbs and spices and ginger.
Chamomillol
Constituent of Matricaria chamomilla (German chamomile). Chamomillol is found in tea, german camomile, and herbs and spices. Chamomillol is found in german camomile. Chamomillol is a constituent of Matricaria chamomilla (German chamomile).
Pogostol
Pogostol is found in herbs and spices. Pogostol is a constituent of patchouli oil from Pogostemon cablin. Constituent of patchouli oil from Pogostemon cablin. Pogostol is found in herbs and spices.
Guaioxide
Guaioxide is found in herbs and spices. Guaioxide is a constituent of guaiac wood oil (Bulnesia sarmienti). Constituent of guaiac wood oil (Bulnesia sarmienti). Guaioxide is found in herbs and spices.
Koraiol
Koraiol is a constituent of Pinus koraiensis (Korean pine). Constituent of Pinus koraiensis (Korean pine)
Isokessane
Constituent of Valeriana officinalis (valerian). Kessane is found in tea, fats and oils, and herbs and spices. Kessane is found in fats and oils. Kessane is a constituent of Valeriana officinalis (valerian).
Faurinone
Constituent of essential oil of Valeriana officinalis (valerian). Faurinone is found in tea, fats and oils, and herbs and spices. Faurinone is found in fats and oils. Faurinone is a constituent of essential oil of Valeriana officinalis (valerian).
beta-Triticene
Antifungal constituent of Triticum aestivum (wheat). beta-Triticene is found in wheat and cereals and cereal products. beta-Triticene is found in cereals and cereal products. Antifungal constituent of Triticum aestivum (wheat
alpha-Triticene
alpha-Triticene is found in common wheat. alpha-Triticene is a constituent of Triticum aestivum (wheat) Constituent of Triticum aestivum (wheat). alpha-Triticene is found in wheat and common wheat.
5,8-Epoxydaucane
Constituent of carrot Daucus carota. 5,8-Epoxydaucane is found in wild carrot, root vegetables, and carrot. 5,8-Epoxydaucane is found in carrot. 5,8-Epoxydaucane is a constituent of carrot Daucus carota.
Zingiberenol
Zingiberenol is found in ginger. Zingiberenol is a constituent of Zingiber officinale, isolated by gas liquid chromatography (GLC). Constituent of Zingiber officinale, isol. by glc. Zingiberenol is found in herbs and spices and ginger.
Panasinsanol B
Panasinsanol B is found in tea. Panasinsanol B is a constituent of Panax ginseng (ginseng) Constituent of Panax ginseng (ginseng). Panasinsanol B is found in tea.
Ginsenol
Ginsenol is found in tea. Ginsenol is isolated from ginseng plant rootlets. Isolated from ginseng plant rootlets. Ginsenol is found in tea.
Sesquicineol
Sesquicineol is a constituent of Boronia megastigma (brown boronia). Constituent of Boronia megastigma (brown boronia)
Rosifoliol
Rosifoliol is found in fruits. Rosifoliol is a constituent of Rubus rosifolius (Mauritius raspberry) Constituent of Rubus rosifolius (Mauritius raspberry). Rosifoliol is found in fruits.
2,6-Di-tert-butyl-1,4-benzenediol
2,6-Di-tert-butyl-1,4-benzenediol is found in tea. 2,6-Di-tert-butyl-1,4-benzenediol is isolated from ginseng roots. Isolated from ginseng roots. 2,6-Di-tert-butyl-1,4-benzenediol is found in tea.
alpha-Caryophyllene alcohol
alpha-Caryophyllene alcohol is found in allspice. alpha-Caryophyllene alcohol is a constituent of Cedrus atlantica. alpha-Caryophyllene alcohol is a flavouring ingredient either alone or together with ib-Caryophyllene alcohol
4beta-8-Daucen-4-ol
4beta-8-Daucen-4-ol is found in root vegetables. 4beta-8-Daucen-4-ol is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). 4beta-8-Daucen-4-ol is found in root vegetables.
(S)-Nerolidol
(s)-nerolidol, also known as (6z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol or nerolidol, (E)-isomer, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (s)-nerolidol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (s)-nerolidol is a mild, floral, and wax tasting compound found in ginger, hyssop, and pepper (spice), which makes (s)-nerolidol a potential biomarker for the consumption of these food products. (S)-Nerolidol is found in ginger. (S)-Nerolidol is a flavouring agent. (S)-Nerolidol is a constituent of Peru balsam and from many other source
Panasinsanol A
Panasinsanol A is found in tea. Panasinsanol A is a constituent of Panax ginseng (ginseng) Constituent of Panax ginseng (ginseng). Panasinsanol A is found in tea.
beta-Bisabolol
Constituent of Gossypium hirsutum (cotton) oil and other essential oils. beta-Bisabolol is found in fats and oils, pepper (spice), and ginger. beta-Bisabolol is found in fats and oils. beta-Bisabolol is a constituent of Gossypium hirsutum (cotton) oil and other essential oils
(+)-alpha-Bisabolol
(+)-alpha-Bisabolol is found in German chamomile. (+)-alpha-Bisabolol is a constituent of the essential oil of Populus balsamifera (balsam poplar). Constituent of essential oil of Populus balsamifera (balsam poplar). (+)-alpha-Bisabolol is found in german camomile. alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2]. alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2].
Cedrelanol
Constituent of Juniperus communis (juniper). Cedrelanol is found in many foods, some of which are fruits, sweet basil, lemon balm, and hyssop. Cedrelanol is found in fruits. Cedrelanol is a constituent of Juniperus communis (juniper).
3xi-4-Copanol
3xi-4-Copanol is found in herbs and spices. 3xi-4-Copanol is a constituent of Ocimum americanum (wild basil).
Acetaldehyde butyl phenethyl acetal
Acetaldehyde butyl phenethyl acetal is a flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours. Flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours
Cubenol
Cubenol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
2,5-Di-tert-butylhydroquinone
D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors 2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].
alpha-Bisabolol
alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2]. alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2].
Guaiol
Guaiol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Guaiol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Guaiol is a mild, balsamic, and guaiacwood tasting compound found in ginger, which makes guaiol a potential biomarker for the consumption of this food product. Guaiol or champacol is an organic compound, a sesquiterpenoid alcohol found in several plants, especially in the oil of guaiacum and cypress pine. It is a crystalline solid that melts at 92 °C. Guaiol is one of many terpenes found in Cannabis . Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities[1][2][3]. Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities[1][2][3].
Nicametate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
alpha-Eudesmol
Alpha-eudesmol, also known as alpha-eudesmol, is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Alpha-eudesmol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-eudesmol can be found in orange mint and wild celery, which makes alpha-eudesmol a potential biomarker for the consumption of these food products. Alpha-eudesmol, also known as α-eudesmol, is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Alpha-eudesmol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-eudesmol can be found in orange mint and wild celery, which makes alpha-eudesmol a potential biomarker for the consumption of these food products.
beta-Cadinol
Beta-cadinol is also known as beta-cadinol. Beta-cadinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-cadinol can be found in mugwort and sweet basil, which makes beta-cadinol a potential biomarker for the consumption of these food products. Beta-cadinol is also known as β-cadinol. Beta-cadinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-cadinol can be found in mugwort and sweet basil, which makes beta-cadinol a potential biomarker for the consumption of these food products.
Cadin-9-en-1-ol
Cadin-9-en-1-ol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Cadin-9-en-1-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cadin-9-en-1-ol can be found in mugwort, which makes cadin-9-en-1-ol a potential biomarker for the consumption of this food product.
gamma-Cadinol
Gamma-cadinol is also known as G-cadinol. Gamma-cadinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Gamma-cadinol can be found in mugwort, which makes gamma-cadinol a potential biomarker for the consumption of this food product.
Muurolol
Muurolol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Muurolol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Muurolol can be found in mugwort, which makes muurolol a potential biomarker for the consumption of this food product.
delta-Cadinol
Delta-cadinol, also known as delta-cadinol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Delta-cadinol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Delta-cadinol is a herbal tasting compound and can be found in a number of food items such as cloves, parsley, lemon balm, and common sage, which makes delta-cadinol a potential biomarker for the consumption of these food products. Delta-cadinol, also known as δ-cadinol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Delta-cadinol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Delta-cadinol is a herbal tasting compound and can be found in a number of food items such as cloves, parsley, lemon balm, and common sage, which makes delta-cadinol a potential biomarker for the consumption of these food products.
Cadinol
Cadinol is also known as alpha-cadinol. Cadinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cadinol can be found in spearmint, which makes cadinol a potential biomarker for the consumption of this food product. Cadinol is any of several organic compounds with formula C 15H 26O, especially: alpha-cadinol delta-cadinol (torreyol, sesquigoyol, pilgerol, albicaulol) T-cadinol . Cadinol is also known as alpha-cadinol. Cadinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cadinol can be found in spearmint, which makes cadinol a potential biomarker for the consumption of this food product. Cadinol is any of several organic compounds with formula C 15H 26O, especially: α-cadinol δ-cadinol (torreyol, sesquigoyol, pilgerol, albicaulol) T-cadinol .
alpha-Elemol
Alpha-elemol, also known as alpha-elemol or elemol, (1r-(1alpha,3beta,4beta))-isomer, is a member of the class of compounds known as elemane sesquiterpenoids. Elemane sesquiterpenoids are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Alpha-elemol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-elemol is a sweet, green, and woody tasting compound and can be found in a number of food items such as hyssop, pepper (spice), wild celery, and coriander, which makes alpha-elemol a potential biomarker for the consumption of these food products. Alpha-elemol, also known as α-elemol or elemol, (1r-(1alpha,3beta,4beta))-isomer, is a member of the class of compounds known as elemane sesquiterpenoids. Elemane sesquiterpenoids are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Alpha-elemol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-elemol is a sweet, green, and woody tasting compound and can be found in a number of food items such as hyssop, pepper (spice), wild celery, and coriander, which makes alpha-elemol a potential biomarker for the consumption of these food products.
Selin-11-en-4-ol
Selin-11-en-4-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Selin-11-en-4-ol can be found in common oregano and common sage, which makes selin-11-en-4-ol a potential biomarker for the consumption of these food products.
Risbitin
Risbitin, also known as rishitin, (1s-(1alpha,2beta,3alpha,7beta))-isomer, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions. Risbitin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Risbitin can be found in potato, which makes risbitin a potential biomarker for the consumption of this food product.
Palustrol
Palustrol is a member of the class of compounds known as 5,10-cycloaromadendrane sesquiterpenoids. 5,10-cycloaromadendrane sesquiterpenoids are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. Palustrol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Palustrol can be found in cloves, which makes palustrol a potential biomarker for the consumption of this food product.
cis-Selinen-4-ol
Cis-selinen-4-ol is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Cis-selinen-4-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-selinen-4-ol can be found in ginger, which makes cis-selinen-4-ol a potential biomarker for the consumption of this food product.
cis-Sesquisabinene hydrate
Cis-sesquisabinene hydrate is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Cis-sesquisabinene hydrate is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-sesquisabinene hydrate can be found in ginger, which makes cis-sesquisabinene hydrate a potential biomarker for the consumption of this food product.
Juniper camphor
Juniper camphor is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Juniper camphor is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Juniper camphor can be found in ginger, which makes juniper camphor a potential biomarker for the consumption of this food product.
Cedrol
Cedrol is a member of the class of compounds known as cedrane and isocedrane sesquiterpenoids. Cedrane and isocedrane sesquiterpenoids are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Cedrol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cedrol is a sweet, cedarwood, and dry tasting compound found in ginger, pepper (spice), and peppermint, which makes cedrol a potential biomarker for the consumption of these food products. Cedrol is a sesquiterpene alcohol found in the essential oil of conifers (cedar oil), especially in the genera Cupressus (cypress) and Juniperus (juniper). It has also been identified in Origanum onites, a plant related to oregano. Its main uses are in the chemistry of aroma compounds. It makes up about 19\\\\% of cedarwood oil Texas and 15.8\\\\% of cedarwood oil Virginia . Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2]. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2].
Anymol
Anymol, also known as (+)-anymol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Anymol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Anymol can be found in rosemary, which makes anymol a potential biomarker for the consumption of this food product.
T-Muurolol
T-muurolol, also known as 10-epi-alpha-muurolol or alpha-epi-muurolol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. T-muurolol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). T-muurolol is a herbal, spicy, and weak spice tasting compound found in allspice, lemon balm, and white mustard, which makes T-muurolol a potential biomarker for the consumption of these food products.
Sodium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent
gamma-Eudesmol
Gamma-eudesmol, also known as gamma-eudesmol, is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Gamma-eudesmol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Gamma-eudesmol is a sweet and waxy tasting compound and can be found in a number of food items such as rosemary, ginkgo nuts, mango, and common thyme, which makes gamma-eudesmol a potential biomarker for the consumption of these food products. Gamma-eudesmol, also known as γ-eudesmol, is a member of the class of compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids are sesquiterpenoids with a structure based on the eudesmane skeleton. Gamma-eudesmol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Gamma-eudesmol is a sweet and waxy tasting compound and can be found in a number of food items such as rosemary, ginkgo nuts, mango, and common thyme, which makes gamma-eudesmol a potential biomarker for the consumption of these food products.
caryophyllene alcohol
Flavouring compound [Flavornet]
Nerolidol
Nerolidol is a farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent. It has a role as a flavouring agent, a cosmetic, a pheromone, a neuroprotective agent, an antifungal agent, an anti-inflammatory agent, an antihypertensive agent, an antioxidant, a volatile oil component, an insect attractant and a herbicide. It is a farnesane sesquiterpenoid, a tertiary allylic alcohol and a volatile organic compound. Nerolidol is a natural product found in Xylopia sericea, Rhododendron calostrotum, and other organisms with data available. Nerolidol is found in bitter gourd. Nerolidol is a component of many essential oils. The (S)-enantiomer is the commoner and occurs mostly as the (S)-(E)-isomer. Nerolidol is a flavouring agent. Nerolidol has been shown to exhibit anti-fungal function (A7933).Nerolidol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units. A nerolidol in which the double bond at position 6 adopts a trans-configuration. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1]. trans-Nerolidol is a sesquiterpene alcohol. It can be isolated from f aerial parts of Warionia saharae ex Benth. trans-Nerolidol improves the anti-proliferative effect of Doxorubicin (HY-15142A) against intestinal cancer cells in vitro. trans-Nerolidol also has anti-fungal activity[1][2]. trans-Nerolidol is a sesquiterpene alcohol. It can be isolated from f aerial parts of Warionia saharae ex Benth. trans-Nerolidol improves the anti-proliferative effect of Doxorubicin (HY-15142A) against intestinal cancer cells in vitro. trans-Nerolidol also has anti-fungal activity[1][2].
Patchoulol
Patchouli alcohol is a carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer). It is a tertiary alcohol, a sesquiterpenoid and a carbotricyclic compound. Patchouli alcohol is a natural product found in Valeriana fauriei, Desmos cochinchinensis, and other organisms with data available. Patchouli alcohol is a natural tricyclic sesquiterpene extracted from Pogostemon cablin (Blanco) Benth, and exhibits anti-Helicobacter pylori and anti-inflammatory properties[1]. Patchouli alcohol is a natural tricyclic sesquiterpene extracted from Pogostemon cablin (Blanco) Benth, and exhibits anti-Helicobacter pylori and anti-inflammatory properties[1].
(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
[2R-(2alpha,8alpha,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethyl-2-naphthalenemethanol
[3R-(3alpha,5beta,8alpha,8abeta)]-1,2,3,5,6,7,8,8a-Octahydro-alpha,alpha,3,8-tetramethyl-5-szulenemethanol
[1R-(1R*,2E,4R*,7E)]-1,7-Dimethyl-4-(1-methylethyl)-2,7-cyclodecadien-1-ol
Eudesm-4(15)-en-5-ol
Selin-6-en-4alpha-ol
2-Methyl-5-(1,2,2-trimethylcyclopentyl)bicyclo[3.1.0]hexane-2-ol
alpha-Verbesinol
Ent-maaliane-5-ol
2,5-Di-tert-butylhydroquinone
D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors 2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].
Tetraglyme
CONFIDENCE standard compound; INTERNAL_ID 2480 CONFIDENCE standard compound; INTERNAL_ID 8837 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3164
(1aS-(1aalpha,4aalpha,7beta,7abeta,7balpha))-7-Hydroxy-1,1,7-trimethylperhydrocycloprop[e]azulen-4-on|<1aS-(1aalpha,4aalpha,7beta,7abeta,7balpha)>-7-Hydroxy-1,1,7-trimethylperhydrocyclopropazulen-4-on
(1beta-H,7beta-H)-8,11,11-trimethylbicyclo[5.3.1]undecane-5alpha,8alpha-epoxy-3-one|norcyperone
11(7->6)abeo-14-norcarabran-4,7-dione|pubescone|rel-(1R,2R,6S,7S)-7-(3-oxobutyl)-2-(1-methylethyl)bicyclo[4.1.0]heptane-3-one
(1S,2S,4S,7R)-1,4,8,8-tetramethyl-10-oxatricyclo[6.2.1.02,5]undecan-9-one|(1S,2S,5R,8S)-1,4,4,8-tetramethyl-10-oxatricyclo[6.2.1.02,5]undecan-9-one|hushinone
Denatonium_TP222
[C13H20NO2]+ (222.14939600000002)
CONFIDENCE Reference Standard (Level 1)
(1S)-2,2-dimethyltetrahydrospiro[cyclopentane-1,1-pyrrolizin]-7(7aH)-one oxime
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one
tert-Butyl 3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
(2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-3-YL)-(4-CHLORO-PHENYL)-METHANONE
(3-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
Poly(3-decylthiophene-2,5-diyl), regioregular Electronic Grade
1-(1-ETHYL-3,5-DIMETHYL-1 H-PYRAZOL-4-YLMETHYL)-PIPERAZINE
4(1H)-Pyrimidinone,6-(4-ethyl-1-piperazinyl)-,hydrazone(9CI)
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
4-(TERT-BUTYL)-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)PHENOL
(4-AMINO-3-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
(4-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
FMOC-(R)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
2-(2,5-Dimethylfuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-amino-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
4,4,5,5-TETRAMETHYL-2-(4-METHYLCYCLOHEX-1-EN-1-YL)-1,3,2-DIOXABOROLANE
C13H23BO2 (222.17910080000001)
buta-1,3-diene,N-(hydroxymethyl)-2-methylprop-2-enamide,prop-2-enenitrile
1,3-DiMethyl-1H-pyrazole-4-boronic acid pinacol ester
(5-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
N,N-dimethyl-3-[3-(methylaminomethyl)phenoxy]propan-1-amine
1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-4-methyl-7-(1-methylethyl)-(9CI)
1,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
2-Methyl-2-propanyl [2-(4-pyridinyl)ethyl]carbamate
3-[6-(2-CYANO-ETHYLAMINO)-HEXYLAMINO]-PROPIONITRILE
5,5-dimethyl-3-(piperidin-1-ylamino)cyclohex-2-en-1-one
1H,6H-3a,5a,8a,10a-Tetraazapyrene,decahydro-, cis-
(4S,6S)-4H-THIENO[2,3-B]-THIOPYRAN-4-OL-5,6-DIHYDRO-6-METHYL-7,7-DIOXIDE
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propan-1-amine
Hydrazinecarboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester
1,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Silane, trimethyl(3,4,6,7-tetrahydro-3,3-dimethylcyclopenta[c]pyran-1-yl)- (9CI)
C13H22OSi (222.14398419999998)
N-methyl-1-[6-(oxan-4-yloxy)pyridin-3-yl]methanamine
4-(1-METHYLETHENYL)-2-PROPYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
3,5-dideuterio-4-(3,6-dimethylheptan-3-yl)phenol
C15H22D2O (222.19525975599998)
[2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-oxoethyl]azanium
[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]boronic acid
5-tert-Butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
4,4,5,5-Tetramethyl-2-(2-methyl-1-cyclohexen-1-yl)-1,3,2-dioxabor olane
C13H23BO2 (222.17910080000001)
N-(3-Ethyl-2-pyridinyl)carbamic acid tert-butyl ester
1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
2-(5,5-dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H23BO2 (222.17910080000001)
3,5-dimethylpyrazole-4-boronic acid, pinacol ester
1-[2-(1-Azepanyl)ethyl]-1H-1,2,3-triazole-4-carbaldehyde
C11H18N4O (222.14805379999999)
Nigragillin
An enamide obtained by formal condensation of the carboxy group of (2E,4E)-hexa-2,4-dienoic acid with the secondary amino group of (2S,5R)-1,2,5-trimethylpiperazine.
N-cyclopentyl-N-(2-furylmethyl)propane-1,3-diamine
(4-tert-Butylphenoxy)(trimethyl)silane
C13H22OSi (222.14398419999998)
(5-Isopropyl-2-methylphenoxy)trimethylsilane
C13H22OSi (222.14398419999998)
nicametate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
rishitin
5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one
1D-3-ammmonio-1-guanidiniumyl-1,3-dideoxy-scyllo-inositol(2+)
2-Trimethylsilyloxy-4-phenylbutane
C13H22OSi (222.14398419999998)
Butane, 2-phenyl-3-(trimethylsilyloxy)-
C13H22OSi (222.14398419999998)
(Z)-4-(1-Cyclohexenyl)-3-methyl-2-butenyltrimethylsilane
[2-(1-Cyclohexenyl)-3-methyl-3-butenyl]trimethylsilane
5-Trimethylsilylmethyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one
C13H22OSi (222.14398419999998)
6-(Trimethylsilylmethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one
C13H22OSi (222.14398419999998)
2-(3-(3-Hydroxybutyl)-2,2-dimethylcyclopropyl)cyclopent-2-ene-1-one
(1alpha,5alpha)-3-Propanoyl-6,6,8beta-trimethylbicyclo[3.3.0]octan-2-one
(1S,5S,9R)-5-Hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
(1s,3r,5r,6r,9r)-6-hydroxy-6,10,10-trimethyltricyclo[7.2.0.0³,⁵]undecan-2-one
(1r,3s,4r,5r)-5-(hepta-1,3,5-trien-1-yl)-4-methylcyclohexane-1,3-diol
8-(2-hydroxypropan-2-yl)-5-methyl-4,4a,5,6,7,8-hexahydro-3h-naphthalen-2-one
(1r,7s,9ar)-6-(hydroxymethyl)-7,9a-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-1-ol
1-{1a,4-dimethyl-hexahydro-2h-indeno[1,7a-b]oxiren-7-yl}propan-2-one
(4ar,5r,8s)-4a-hydroxy-8-isopropyl-5-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-ol
6-[5-(hydroxymethyl)-1-methylpiperidin-3-yl]pyridin-2-ol
(2r,4r,5r,8r)-4,8-dimethyl-2-[(1e)-prop-1-en-1-yl]-1-oxaspiro[4.5]dec-6-en-8-ol
(1r,4r,6r,10s)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one
6-(hept-6-en-2-yl)-3-(hydroxymethyl)cyclohex-2-en-1-one
(1r,3r,4r,6r,10s)-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-3-ol
(1r,4r,6r)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one
(3s,4s,4ar,7as,7br)-6,6,7b-trimethyl-1h,3h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-3,4-diol
4-hydroxy-14-nor-5-dumorten-7-one
{"Ingredient_id": "HBIN010425","Ingredient_name": "4-hydroxy-14-nor-5-dumorten-7-one","Alias": "NA","Ingredient_formula": "C14H22O2","Ingredient_Smile": "CC1CCC(C(=O)C=C2C1CCC2(C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10539","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,11-dehydromatrine
{"Ingredient_id": "HBIN012860","Ingredient_name": "7,11-dehydromatrine","Alias": "NA","Ingredient_formula": "C12H18N2O2","Ingredient_Smile": "C1CC2CN3C(=C4C2N(C1)CCC4)CCCC3=O","Ingredient_weight": "222.28","OB_score": "44.42628517","CAS_id": "85799-36-6","SymMap_id": "SMIT00644","TCMID_id": "4947","TCMSP_id": "MOL006583","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}