Exact Mass: 318.2505
Exact Mass Matches: 318.2505
Found 500 metabolites which its exact mass value is equals to given mass value 318.2505,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Steviol
Steviol is an ent-kaurane diterpenoid that is 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid in which the hydrogen at position 13 has been replaced by a hydroxy group. It has a role as an antineoplastic agent. It is a tetracyclic diterpenoid, a tertiary allylic alcohol, a monocarboxylic acid, a bridged compound and an ent-kaurane diterpenoid. It is a conjugate acid of a steviol(1-). Steviol is a natural product found in Ceriops decandra, Cucurbita, and other organisms with data available. Steviol is found in fruits. Steviol is isolated from Cucurbita maxima Rebaudioside B, D, and E may also be present in minute quantities; however, it is suspected that rebaudioside B is a byproduct of the isolation technique. The two majority compounds stevioside and rebaudioside, primarily responsible for the sweet taste of stevia leaves, were first isolated by two French chemists in 1931. Isolated from Cucurbita maxima Steviol is a major metabolite of the sweetening compound stevioside. Steviol slows renal cyst growth by reducing AQP2 expression and promoting AQP2 degradation[1]. Steviol is a major metabolite of the sweetening compound stevioside. Steviol slows renal cyst growth by reducing AQP2 expression and promoting AQP2 degradation[1].
Methasteron
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5-(8-Pentadecenyl)-1,3-benzenediol
5-(8-Pentadecenyl)-1,3-benzenediol is found in cashew nut. 5-(8-Pentadecenyl)-1,3-benzenediol is isolated from Ginkgo biloba (ginkgo) fruit Isolated from Ginkgo biloba (ginkgo) fruits. 5-(8-Pentadecenyl)-1,3-benzenediol is found in cashew nut, ginkgo nuts, and fats and oils.
Pregnanolone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
15-KETE
15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE. [HMDB] 15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE.
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is also known as 18-HEPE or 18(R)-Hydroxyeicosa-5Z,8Z,11E,14Z,16E-pentaenoate. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is an eicosanoid lipid molecule
5-KETE
5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid (5-oxo-ETE), 5-lipoxygenase product is a potent chemoattractant for neutrophils and eosinophils. Its actions are mediated by the oxoeicosanoid (OXE) receptor, a member of the G protein-coupled receptor family.(PMID:18292294) [HMDB] 5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid (5-oxo-ETE), 5-lipoxygenase product is a potent chemoattractant for neutrophils and eosinophils. Its actions are mediated by the oxoeicosanoid (OXE) receptor, a member of the G protein-coupled receptor family.(PMID:18292294).
Leukotriene A4
Leukotriene A4 (LTA4) is the first metabolite in the series of reactions leading to the synthesis of all leukotrienes. 5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to LTA4.The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. Leukotriene A4, an unstable epoxide, is hydrolyzed to leukotriene B4 or conjugated with glutathione to yield leukotriene C4 and its metabolites, leukotriene D4 and leukotriene E4. The leukotrienes participate in host defense reactions and pathophysiological conditions such as immediate hypersensitivity and inflammation. Recent studies also suggest a neuroendocrine role for leukotriene C4 in luteinizing hormone secretion. (PMID: 10591081, 2820055). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Leukotriene A4 (LTA4) is the first metabolite in the series of reactions leading to the synthesis of all leukotrienes. 5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to LTA4.The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. Leukotriene A4, an unstable epoxide, is hydrolyzed to leukotriene B4 or conjugated with glutathione to yield leukotriene C4 and its metabolites, leukotriene D4 and leukotriene E4. The leukotrienes participate in host defense reactions and pathophysiological conditions such as immediate hypersensitivity and inflammation. Recent studies also suggest a neuroendocrine role for leukotriene C4 in luteinizing hormone secretion. (PMID: 10591081, 2820055)
Theasaponin A4
4,5-lta4, also known as 4r,5r-ep 7t9t11c14c-20:4 or 4r,5r-epoxy-7e,9e,11z,14z-eicosatetraenoic acid, is a member of the class of compounds known as epoxy fatty acids. Epoxy fatty acids are fatty acids containing an oxirane ring as part of the aliphatic chain. Thus, 4,5-lta4 is considered to be an eicosanoid lipid molecule. 4,5-lta4 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4,5-lta4 can be found in tea, which makes 4,5-lta4 a potential biomarker for the consumption of this food product.
Tridihexethyl
Tridihexethyl is only found in individuals that have used or taken this drug. It is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Tridihexethyl is an antimuscarinic, anticholinergic drug.Tridihexethyl binds the muscarinic acetylcholine receptor. It may block all three types of muscarinic receptors including M-1 receptors in the CNS and ganglia, M-2 receptors in the heart (vagus) and M-3 receptors at the parasympathetic NEJ system. The muscarinic acetylcholine receptors mediate various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Tridihexethyl inhibits vagally mediated reflexes by antagonizing the action of acetylcholine. This in turn reduces the secretion of gastric acids in the stomach. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Ineketone
Ineketone is found in cereals and cereal products. Ineketone is isolated from Oryza sativa (rice). Isolated from Oryza sativa (rice). Ineketone is found in cereals and cereal products and rice.
4,5alpha-Dihydro-2-(hydroxymethylene)testosterone
Oxymesterone
Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475) [HMDB] Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475). C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
5alpha-Pregnan-20alpha-ol-3-one
This compound belongs to the family of Gluco/mineralocorticoids, Progestogins and Derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.
Allopregnanolone
Allopregnanolone is a neuroactive metabolite of progesterone and a barbiturate-like modulator of central gamma-aminobutyric acid receptors that modify a range of behaviors, including the stress response. is a steroid created in the body when progesterone, the female sex hormone, is metabolized. Typically, THP (allopregnanolone) is released in the brain in response to stress, and quiets the neural system within 30 minutes of escalation. This steroid hormone has recently been found to be responsible for the extreme mood swings found in teenagers. In adults and pre-pubescent chlidren THP normally helps soothe the activity of brain cells by binding to GABA receptors that inhibit accelerating electrical activity. However, in pubescent teenagers THP actually becomes a GABA receptor antagonist. GABA (gamma-aminobutyric acid) is the primary inhibitory neurotransmitter in the brain with most sedatives (tranquilizers, anesthetics and alcohol) acting on the GABA receptor. A neuroactive metabolite of progesterone and a barbiturate-like modulator of central gamma-aminobutyric acid receptors that modify a range of behaviors, including the stress response. is a steroid created in the body when progesterone, the female sex hormone, is metabolized. Typically, THP (allopregnanolone) is released in the brain in response to stress, and quiets the neural system within 30 minutes of escalation. This steroid hormone has recently been found to be responsible for the extreme mood swings found in teenagers. In adults and pre-pubescent chlidren THP normally helps soothe the activity of brain cells by binding to GABA receptors that inhibit accelerating electrical activity. However, in pubescent teenagers THP actually becomes a GABA receptor antagonist. GABA (gamma-aminobutyric acid) is the primary inhibitory neurotransmitter in the brain with most sedatives (tranquilizers, anesthetics and alcohol) acting on the GABA receptor. [HMDB] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System Same as: D11149 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Alloepipregnanolone
This compound is the byproduct of 3beta-hydroxy-5alpha-steroid dehydrogenase (EC 1.1.1.278). With regard to hypothermia, the compound interferes with the development of rapid tolerance to the anxiolytic effect of ethanol. (PMID: 16612485) [HMDB] This compound is the byproduct of 3beta-hydroxy-5alpha-steroid dehydrogenase (EC 1.1.1.278). With regard to hypothermia, the compound interferes with the development of rapid tolerance to the anxiolytic effect of ethanol. (PMID: 16612485). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
Epipregnanolone
Epipregnanolone, also known as 3beta-hydroxy-5beta-pregnan-20-one, belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogens, and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Thus, epipregnanolone is considered to be a steroid lipid molecule. Epipregnanolone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Epipregnanolone is a pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties. It is a substrate of the enzyme 3beta-hydroxy-5beta-steroid dehydrogenase (EC 1.1.1.277). A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties. It is a substrate of the enzyme 3beta-hydroxy-5beta-steroid dehydrogenase (EC 1.1.1.277). [HMDB] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
Methyl Arachidonate
Methyl Arachidonate, also known as Arachidonate methyl ester or (5Z,8Z,11Z,14Z)-Icosatetraenoate methyl ester, is classified as a member of the Fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Methyl Arachidonate is considered to be practically insoluble (in water) and basic. Methyl Arachidonate can be synthesized from arachidonic acid. Methyl Arachidonate can be synthesized into 12(R)-HPETE methyl ester and 12(S)-HPETE methyl ester
5-HEPE
5-HEPE is a major eicosanoid formed from eicosapentaenoic acid (EPA). 5-HEPE is produced in human neutrophils. The eicosanoids are a diverse family of molecules that have powerful effects on cell function. They are best known as intercellular messengers, having autocrine and paracrine effects following their secretion from the cells that synthesize them. The diversity of possible products that can be synthesized from eicosatrienoic acid is due, in part to the variety of enzymes that can act on it. Studies have placed many, but not all, of these enzymes at or inside the nucleus. In some cases, the nuclear import or export of eicosatrienoic acid-processing enzymes is highly regulated. Furthermore, nuclear receptors that are activated by specific eicosanoids are known to exist. (PMID: 8847485, 15896193) [HMDB] 5-HEPE is a major eicosanoid formed from eicosapentaenoic acid (EPA). 5-HEPE is produced in human neutrophils. The eicosanoids are a diverse family of molecules that have powerful effects on cell function. They are best known as intercellular messengers, having autocrine and paracrine effects following their secretion from the cells that synthesize them. The diversity of possible products that can be synthesized from eicosatrienoic acid is due, in part to the variety of enzymes that can act on it. Studies have placed many, but not all, of these enzymes at or inside the nucleus. In some cases, the nuclear import or export of eicosatrienoic acid-processing enzymes is highly regulated. Furthermore, nuclear receptors that are activated by specific eicosanoids are known to exist. (PMID: 8847485, 15896193).
(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one
(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one is found in fruits. (2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one is a constituent of avocado (Persea americana). Constituent of avocado (Persea americana). (2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one is found in fruits.
Epimetendiol
Epimetendiol is one of the major urinary metabolites of the anabolic androgenic compound metandienone. Anabolic-androgenic steroids such as metandienone are some of the most frequently detected drugs in amateur and professional sports. Doping control laboratories have developed numerous assays enabling the determination of administered drugs and/or their metabolic products that allow retrospectives with respect to pharmacokinetics and excretion profiles of steroids and their metabolites. Metandienone misuse can be detected by high resolution mass spectrometry for a prolonged period after stopping the intake of metandienone. Androgenic anabolic steroids are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. The use of anabolic steroids was banned by the International Olympic Committee for the first time at the Olympic Games in Montreal in 1976. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. (PMID: 16804957, 10595716, 10506840, 1089834, 14085300, 14141174, 3279830, 4231505, 4361633, 4592844, 4612989, 4896687, 4907221, 4942579, 6394898) [HMDB] Epimetendiol is one of the major urinary metabolites of the anabolic androgenic compound metandienone. Anabolic-androgenic steroids such as metandienone are some of the most frequently detected drugs in amateur and professional sports. Doping control laboratories have developed numerous assays enabling the determination of administered drugs and/or their metabolic products that allow retrospectives with respect to pharmacokinetics and excretion profiles of steroids and their metabolites. Metandienone misuse can be detected by high resolution mass spectrometry for a prolonged period after stopping the intake of metandienone. Androgenic anabolic steroids are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. The use of anabolic steroids was banned by the International Olympic Committee for the first time at the Olympic Games in Montreal in 1976. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. (PMID: 16804957, 10595716, 10506840, 1089834, 14085300, 14141174, 3279830, 4231505, 4361633, 4592844, 4612989, 4896687, 4907221, 4942579, 6394898).
3a-Hydroxy-5b-pregnane-20-one
3alpha-Hydroxy-5beta-pregnane-20-one is an intermediate in C21-Steroid hormone metabolism. 3alpha-Hydroxy-5beta-pregnane-20-one is converted from 5beta-Pregnane-3,20-dione via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). It is then converted to Pregnanediol via the enzyme 3alpha(or 20beta)-hydroxysteroid dehydrogenase (EC 1.1.1.53). [HMDB] 3alpha-Hydroxy-5beta-pregnane-20-one is an intermediate in C21-Steroid hormone metabolism. 3alpha-Hydroxy-5beta-pregnane-20-one is converted from 5beta-Pregnane-3,20-dione via the enzyme 3-alpha-hydroxysteroid dehydrogenase (EC 1.1.1.50). It is then converted to Pregnanediol via the enzyme 3alpha(or 20beta)-hydroxysteroid dehydrogenase (EC 1.1.1.53). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is classified as a member of the Hydroxyeicosapentaenoic acids. Hydroxyeicosapentaenoic acids are eicosanoic acids with an attached hydroxyl group and five CC double bonds. 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is an eicosanoid lipid molecule
Pregnanolone
Pregnanolone, also known as eltanolone or 3alpha-hydroxy-5beta-pregnan-20-one, belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogens, and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Pregnanolone is considered to be practically insoluble (in water) and basic. Pregnanolone is an endogenous inhibitory neurosteroid that is produced in the body from progesterone. It is closely related to allopregnanolone, which has similar properties (Wikipedia). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(+/-)-18-Hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
(+/-)-8-Hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
(1R,4R,5R,9S,10R,13S)-5,9,13-Trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
5,8,11,14-Hexadecatetraenoicacid, 16-[(2R,3S)-3-ethyl-2-oxiranyl]-, (5Z,8Z,11Z,14Z)-rel-
3-Hydroxypregnan-20-one
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
2-[(1r,3s)-3-Hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
2-Oxahexacyclo[15.3.1.03,20.06,19.09,18.010,15]henicosane-16,21-diol
4-Oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosane-6,7-diol
Ciliaric acid
Ciliaric acid, also known as ciliarate, is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Ciliaric acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ciliaric acid can be found in sunflower, which makes ciliaric acid a potential biomarker for the consumption of this food product.
ent-7alpha-hydroxykaur-16-en-19-oate
Ent-7alpha-hydroxykaur-16-en-19-oate is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Ent-7alpha-hydroxykaur-16-en-19-oate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ent-7alpha-hydroxykaur-16-en-19-oate can be found in a number of food items such as greenthread tea, cardamom, agave, and hickory nut, which makes ent-7alpha-hydroxykaur-16-en-19-oate a potential biomarker for the consumption of these food products.
Isosteviol
Isosteviol is a diterpenoid. Isosteviol is a natural product found in Ceriops decandra with data available. See also: Stevia rebaudiuna Leaf (part of). Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects[1][2][3][4]. Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects[1][2][3][4].
hypodiolide A
Tripterifordin is a natural product found in Gynocardia odorata and Tripterygium wilfordii with data available.
(8alpha,13R)-8,13-Epoxy-2-hydroxy-1,14-labdadien-3-one
2-[(3,4,4a,5,6,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-5-heptenoic acid
2alpha-Hydroxy-3-oxo-4betaH-ent-cleroda-13(16),14-diene-15,16-oxide
Yucalexin B22
Yucalexin B20
Methyl arachidonate
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of arachidonic acid with methanol.
15-Oxolabda-8(17),13E-dien-19-oic acid|Agathalic acid
ent-12alpha-hydroxykaur-16-en-19-oic acid|ent-12beta-hydroxykaur-16-en-19-oic acid
(-)-16beta,17-epoxykauran-19-oic acid|ent-16beta,17-epoxy-kauran-19-oic acid
10betaH-6beta-(2-methylbutyryloxy)furanoeremophilane
12,16-epoxy-5alpha-hydroxycassa-12,15-dien-19-ol|7-dehydroxycaesaldekarin I
1-[2-(3-Furanyl)ethyl]-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-4a,5-dimethanol
ent-7beta,18-dihydroxykaur-15-oxo-16-ene|ent-7beta-hydroxy-15-oxokaur-16-en-18-ol
(3beta,12alpha,13alpha)-3,12-dihydroxypimara-7,15-dien-2-one
2-(2-Formyl-3-hydroxymethy1-2-cyclopentenyl)-6, 10-demethy1-5, 9-undecadienal
2-Hydroxy-6-((Z)-8-tridecenyl)benzoic acid|2-Hydroxy-6-<(Z)-8-tridecenyl>benzoic acid|6-<8(Z)- tridecenyl>salicylic acid
7R*-hydroperoxy-14-keto-1S*,11S*-dolabell-3Z,8E,12Z-triene
(1R*,2E,4S*,7E,11E)-1-isopropyl-4-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-2,7,11-trien-20-one|(1R*,2E,4S*,7E,11Z)-1-isopropyl-4-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-2,7,11-trien-20-one|laevigatlactone A|laevigatlactone C
(3beta,14alpha)-14-ethenyl-3-hydroxy-13-(hydroxymethyl)podocarp-12-en-2-one|3beta,17-dihydroxycleistantha-12,15-dien-2-one
2.3-Dihydroxy-1-(pentadecen-(10)-yl)-benzol|3-Pentadec-10-enyl-brenzcatechin|3-pentadec-10-enyl-pyrocatechol
4-methoxy-4-methyl-2-(3,6,9-tetradecatrienyl)cyclopentanone
(6R,7S,9R,10S,12Z,15Z)-6,7:9,10-bisepoxyhenicosa-12,15,20-triene
17abeta-Hydroxy-5alpha.20H-16(17-20)-abeo-pregnanon-(3)|17abeta-hydroxy-5alpha.20H-16(17-20)-abeo-pregnanone-(3)
5beta,20-epoxy-20-methoxy-ros-15-ene|5??,20-Epoxy-20-methoxy-ros-15-ene
(1E,3E,7R*,8R*,11E)-1-(2-methoxy-propan-2-yl)-4,8,12-trimethyloxabicyclo[12.1.0]-pentadeca-1,3,11-triene
3beta-hydroxy-labda-8(17),13(14)-dien-12(15)-olide
(1R,3E,7S,9R,11S,12S)-7,9-dihydroxy-14-oxo-3,8(17),18-dolabellatriene
12-(R)-hydroxy-ent-atiseren-19-oic acid|platencin SL3
(1R,3S,4S,7S,11S,12S)-3,4-epoxy-7-hydroxy-14-oxo-8(17),18-dolabelladiene
4-(2-(1-Hydroxy-2,5,5,8a-tetramethyldecalin-4-ene-1-yl)ethyl)furan-2(5H)-one
12alpha,14alpha-dihydroxyl-3-oxoisopimara-8(9),15-diene|excoecarin F
(12R)-12-hydroxylabda-8(17),13(16),14-trien-19-oic acid|(1S,4aR,5S,8aR)-decahydro-5-[(2R)-2-hydroxy-3-methylidenepent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalene-1-carboxylic acid|12R-hydroxy-labda-8(17),13(16),14-trien-19-oic acid|fokihodgin F
1beta,14alpha-dihydroxy-ent-pimara-8,15-dien-7-one|pedinophyllol F
11alpha,12beta-epoxy-5alpha-hydroxy-1betaH,2alphaH-casba-3Z,7E-dien-18-al|pekinenin D
rubesanolide D
An abietane diterpenoid found in the medicinal plant Isodon rubescens that is 7alpha,8beta-dihydroxyabiet-13-ene in which the 20-methyl group has undergone formal oxidation to the corresponding carboxy group and condensed with the 8-hydroxy group to give the corresponding gamma-lactone. It has shown inhibitory activity against biofilm formation of the dental bacterium Streptococcus mutans.
(1S,7R,8R,11R,3E)-7,8-epoxycembra-11-hydroxy-3,12(20),15-(17)-trien-18-al|11(R)-hydroxy-12(20)-en-knightal
(2-(sec-butyl)-5-hydroxy-1,6,8-trimethyl-2,5,6,7,8,8a-hexahydro-1H-4a,1-(epoxymethano)naphthalen-10-ylidene)acetaldehyde|coicenal D
abieta-8,11,13-triene-7,15,18-triol
(rel-8R,9R,10S,13S)-9,13-epoxylabda-5-en-15,16-olide|vitextrifolin G
8beta,10beta-dihydroxyicetexa-9(11),13-dien-12-one|fokihodgin J
1beta,9beta-dihydroxy-ent-pimara-7,15-dien-14-one|pedinophyllol A
15beta,18-dihydroxy-ent-kaur-16-en-3-one|wikstroemioidin L
7alpha-hydroxycleroda-3,13-dien-15,16-olide|7alpha-hydroxysolidagolactone I
1beta,9beta-dihydroxy-ent-pimara-8(14),15-dien-7-one|pedinophyllol C
(10-(sec-butyl)-6-hydroxy-1,7,9-trimethyl-1,6,7,8,9,9a-hexahydro-1,4-methanobenzo-[d]oxepin-2(4H)-ylidene)acetaldehyde|coicenal A
1beta,7beta-dihydroxy-ent-pimara-8,15-dien-14-one|pedinophyllol D
(2E,10E)-1-hydroxy-6,13-diketo-7-methylene-3,11,15-trimethylhexadeca-2,10,14-triene
ent-12-Oxo-8,13(16)-labdadien-15-oic acid|ent-12-oxolabda-8,13(16)-dien-15-oic acid
(1R*,2R*,3E,7E,11E)-1-isopropyl-2-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-3,7,11-trien-20-one|laevigatlactone D
(12S,13S)-12,13-epoxylabda-8(17),14-dien-19-oic acid|12,13-epoxylabda-8(17),14-dien-19-oic acid|fokihodgin H
13-hydroxyloba-8,10,15(E),17(E)-tetraen-19-oic acid
16,18-dihydroxykolavenic acid lactone|4-{2-[(1R*,2S*,4aS*,8aS*)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethylnaphthalen-1-yl]ethyl}-furan-2(5H)-one
18-Hydroxy-2(4),14-decipiadien-1-oic acid|18-hydroxydecipi-2(4),14-dien-1-oic acid
(+)-4,5-deoxyneodolabelline|(1R,6S,7S,10S,11S)-10-hydroxy-6-isopropyl-7,10,14-trimethyl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-diene-9-one|4,5-deoxyneodolabelline
6alpha-6-Hydroxy-8(14)-,15-isopimaradien-18-oic acid
9,10-Seco-8S,13S-Epoxy-abiet-8(14)-en-18,10??-olide
(-)-(5R,8S,9S,10R)-7-oxo-clerodan-3,13E-dien-15-oic acid|(-)-7-oxo-kolavenic acid|(2E)-5-[(1R,2S,4aR,8aR)-1,2,4a,5-tetramethyl-3-oxo-1,2,4,4a,7,8,8a-heptahydronaphthyl]-3-methylpent-2-enoic acid|(ent-13E)-7-Oxo-3,13-clerodadien-15-oic acid|7-oxo-ent-clerodan-3,13E-dien-15-oic acid|7-oxo-kolavenic acid
8-Angeloyl-3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
(ent-16beta)-16-Acetyl-17-nor-19-kauranol|16alpha-acetyl-19-hydroxy-16-desmethyl-ent-kaurane
16,17-dihydroxy-ent-kaur-9(11)-en-19-al|16??,17-Dihydroxy-ent-9(11)-kauren-19-al
2alpha-hydroxy-ent-labda-8(17),13-dien-16,15-olide
(1S*,3R*,4R*,6S*,11S*)-3,4-Epoxy-6-hydroxy-dolabella-7E,12-dien-14-one
(3S)-14-isopropyl-3,13,19-trihydroxy-8,11,13-podocarpatriene|inumakiol H
8beta-hydroxy-15-isopimarane-3,12-dione|trogopteroid B
3beta,19-dihydroxy-8(9),15-isopimaradien-7-one|3??,19-Dihydroxy-8(9),15-isopimaradien-7-one
(5S,6S,9R,10S,13R)-6,20-dihydroxy-sandaracopimara-7,15-dien-14-one|negundoin G
17-Hydroxy-3,4-seco-4(18),15-beyeradien-3-oic acident|17-Hydroxy-3,4-seco-beyer-4(18),15-dien-3-saeure|17-Hydroxy-3.4-seco-beyera-4(18),15-dien-3-saeure
17-hydroxy-3,4-seco-ent-atis-15-en-3-oic acid|agallochaol J
3beta-hydroxy sandaracopimaric acid|3beta-hydroxysandaracopimaric acid|3??-Hydroxysandara copimaric acid
10-hydroxy-9,10-secoabieta-8,11,13-trien-18-oic acid|rel-(1R,2S,3R)-3-hydroxy-1,3-dimethyl-2-{2-[3-(1-methylethyl)phenyl]ethyl}cyclohexanecarboxylic acid
2alpha,12,18-trihydroxyabieta-8,11,13-triene|fortunin J
2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren-2-yl]propenoic acid|macrocalyxin I
11,12,20-trihydroxy-abieta-8,11,13-triene|8,11,13-abietatriene-11,12,20-triol|abieta-8,11,13-triene-11,12,20-triol|abietatriene triol
(9R)-9-hydroxydichotoma-2,14-diene-19,20-dial|(9S)-9-hydroxydichotoma-2,14-diene-19,20-dial
(9Z,15Z)-6,7:12,13-bisepoxyhenicosa-9,15,20-triene|9,10:15,16-Diepoxide,18,19-dihydro-(all-Z)-1,6,9,12,15,18-Heneicosahexaene
dehydropopulifolic acid methyl ester|Dehydropopulifolinsaeure-methylester
5-HEPE
A hydroxyicosapentaenoic acid that consists of 6E,8Z,11Z,14Z,17Z-icosapentaenoic acid with the hydroxy group located at position 5. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0203.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0203.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0203.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000133.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000133.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000133.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000133.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000133.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000133.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
(+)-CP 47,497
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3699
MLS001335972-01!5beta-Pregnan-3alpha-ol-20-one128-20-1
2,3-dihydroxypropyl 3-hydroxytetradecanoate
C12EOx
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Structure is C12EO2 - spectrum includes x>2; Digitised from figure: approximate intensities D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
3-hydroxypregnan-20-one
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
Tridihexethyl
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
(2E,5E,12E,15E)-1-hydroxyhenicosa-2,5,12,15-tetraen-4-one
ST 21:1;O2
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
isovaleraldehyde diethyl acetal
Isovaleraldehyde diethyl acetal is a member of the class of compounds known as acetals. Acetals are compounds having the structure R2C(OR)2 ( R not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R groups. Isovaleraldehyde diethyl acetal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isovaleraldehyde diethyl acetal is a fatty and fruity tasting compound and can be found in a number of food items such as green bell pepper, yellow bell pepper, orange bell pepper, and red bell pepper, which makes isovaleraldehyde diethyl acetal a potential biomarker for the consumption of these food products.
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYLPROPYL)METHYLCARBAMICACIDBENZYLESTER
N-[bis(dimethylamino)alumanyl]-N-methylmethanamine
methyl 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
(1R,4aR,4bS,10aR)-Methyl 2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate
5-(1,1-Dimethylheptyl)-2-[(1s,3r)-3-hydroxy-cyclohexyl]phenol
Pregnenediol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
brexanolone
A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System Same as: D11149 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Eltanolone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Methyl 8-(tetracyclo[6.4.0.0(2,7).0(3,6)]dodec-10-yl)octanoate
1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone
[3-Carboxy-2-(3-hydroxynonanoyloxy)propyl]-trimethylazanium
Tetrahydroprogesterone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
(9E,11E,13E,15E)-henicosa-9,11,13,15-tetraenoic acid
(3R)-3-(Tert-butyldimethylsilyloxy)-5-pivaloyloxypentanol
Isopregnanolone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one
3beta-hydroxy-5beta-pregnan-20-one
The 3beta-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.
3alpha-hydroxy-5beta-pregnan-20-one
The 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.
methyl (2e)-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-enoate
methyl 5-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-3-methylpent-2-enoate
(2r,4s,5r)-5-amino-2-[(1e,3e,8e,10e)-pentadeca-1,3,8,10-tetraen-1-yl]piperidin-4-ol
1-[(5e)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
3-[(8z)-hexadec-8-en-1-yl]-5-methylidenefuran-2-one
(7e,9e,11e,13e)-hexadeca-7,9,11,13-tetraen-1-yl 3-methylbutanoate
1-[(1s,4ar,5s,8ar)-5-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-1-yl]ethanone
2-[(3-pentyloxiran-2-yl)methyl]-3-(undeca-2,5,10-trien-1-yl)oxirane
1,4-epoxy-16-hydroxyheneicos-1,3,12,14-tetraene
{"Ingredient_id": "HBIN001455","Ingredient_name": "1,4-epoxy-16-hydroxyheneicos-1,3,12,14-tetraene","Alias": "NA","Ingredient_formula": "C21H34O2","Ingredient_Smile": "CCCCCC(C=CC=CCCCCCCCC1=CC=CO1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7117","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(pantadec-10-enyl)-catechol
{"Ingredient_id": "HBIN009446","Ingredient_name": "3-(pantadec-10-enyl)-catechol","Alias": "NA","Ingredient_formula": "C21H34O2","Ingredient_Smile": "CCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16610","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-pregnene-3β,20α-diol
{"Ingredient_id": "HBIN011883","Ingredient_name": "5-pregnene-3\u03b2,20\u03b1-diol","Alias": "NA","Ingredient_formula": "C21H34O2","Ingredient_Smile": "CC(C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
