Exact Mass: 303.1446
Exact Mass Matches: 303.1446
Found 500 metabolites which its exact mass value is equals to given mass value 303.1446,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Evodiamine
Evodiamine is a member of beta-carbolines. Evodiamine is a natural product found in Vepris soyauxii, Cryptocarya, and other organisms with data available. Origin: Plant; Formula(Parent): C19H17N3O; Bottle Name:Evodiamine; PRIME Parent Name:Evodiamine; PRIME in-house No.:V0296; SubCategory_DNP: Monoterpenoid indole alkaloids, Indoloquinolizidine alkaloids, Indole alkaloids Formula(Parent): C19H17N3O; Bottle Name:Evodiamine; Origin: Plant; PRIME Parent Name:Evodiamine; PRIME in-house No.:V0296; SubCategory_DNP: Monoterpenoid indole alkaloids, Indoloquinolizidine alkaloids, Indole alkaloids Annotation level-1 (±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1]. Evodiamine is an alkaloid isolated from the fruit of Evodia rutaecarpa Bentham with diverse biological activities including anti-inflammatory, anti-obesity, and antitumor. Evodiamine is an alkaloid isolated from the fruit of Evodia rutaecarpa Bentham with diverse biological activities including anti-inflammatory, anti-obesity, and antitumor.
Scopolamine
Scopolamine, also known as hyoscine, is a tropane alkaloid drug obtained from plants of the family Solanaceae (nightshades), such as henbane or jimson weed (Datura species). It is part of the secondary metabolites of plants. Scopolamine is used criminally as a date rape drug and as an aid to robbery, the most common act being the clandestine drugging of a victims drink. It is preferred because it induces retrograde amnesia, or an inability to recall events prior to its administration. Victims of this crime are often admitted to a hospital in police custody, under the assumption that the patient is experiencing a psychotic episode. A telltale sign is a fever accompanied by a lack of sweat. An alkaloid from Solanaceae, especially Datura metel L. and Scopola carniolica. Scopolamine and its quaternary derivatives act as antimuscarinics like atropine, but may have more central nervous system effects. Among the many uses are as an anesthetic premedication, in urinary incontinence, in motion sickness, as an antispasmodic, and as a mydriatic and cycloplegic. Scopolamine, also known as hyoscine, is a tropane alkaloid drug obtained from plants of the family Solanaceae (nightshades), such as henbane or jimson weed (Datura species). It is part of the secondary metabolites of plants. A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents KEIO_ID S040; [MS2] KO009233 KEIO_ID S040
Cocaine
Cocaine, also known as coke, is an alkaloid ester obtained from the leaves of the coca plant (PMID: 20857618). It is a weakly alkaline compound and can therefore combine with acidic compounds to form white salts or powders (which is how it is typically sold and consumed). Cocaine is a strong stimulant that is most frequently used as a recreational drug. It is the second most frequently used illegal drug globally, after cannabis. The stimulant and hunger suppression properties of cocaine and coca leaf extracts have been known for thousands of years by indigenous groups in central and South America. The coca leaf was, and still is, chewed almost universally by some indigenous communities. Cocaine acts by inhibiting the reuptake of serotonin, norepinephrine, and dopamine. This inhibition leads to a number of mental and physical effects that may include loss of contact with reality, an intense feeling of happiness, periods of agitation, along with a rapid heart rate, sweating, and dialated pupils. Cocaine is highly addictive due to its effect on the reward pathway in the brain (PMID: 22856655). Cocaine addiction occurs through overexpression of the FosB protein in the nucleus accumbens of the brain, which results in altered transcriptional regulation in neurons within the nucleus accumbens. Cocaine is harmful. Its use increases the risk of stroke, myocardial infarction, lung problems (in those who smoke it), blood infections, and sudden cardiac death. Medically, cocaine is infrequently used as a local anesthetic and vasoconstrictor to cause loss of feeling or numbness before certain medical procedures (e.g., biopsy, stitches, wound cleaning) (PMID: 28956316). Topical cocaine is occasionally used as a local numbing agent to help with painful procedures in the mouth or nose. Cocaine is now predominantly used for nasal and lacrimal duct surgery. It works quickly to numb certain areas of the body (e.g., nose, ear, or throat) about 1-2 minutes after application. Cocaine functions as an anesthesia by reversibly binding to and inactivating sodium channels, thereby inhibiting excitation of nerve endings or by blocking conduction in peripheral nerves. Cocaine and its major metabolites are only found in individuals that have used or taken this drug. D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BC - Esters of benzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2817 EAWAG_UCHEM_ID 2817; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1619 D049990 - Membrane Transport Modulators
Nicotianamine
The (S,S,S)-stereoisomer of nicotianamine. IPB_RECORD: 2921; CONFIDENCE confident structure
Phenoxybenzamine
Phenoxybenzamine is only found in individuals that have used or taken this drug. It is an alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator. [PubChem]Phenoxybenzamine produces its therapeutic actions by blocking alpha receptors, leading to a muscle relaxation and a widening of the blood vessels. This widening of the blood vessels results in a lowering of blood pressure. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
SCHEMBL4290912
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Retigabine
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D049990 - Membrane Transport Modulators Same as: D09569
Chlorphenoxamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Chlorphenoxamine is an antihistamine and anticholinergic used as an antipruritic and antiparkinsonian agent. Target: Histamine Receptor
Pipemidic acid
Pipemidic acid is a member of the pyridopyrimidine class of antibacterials, which display some overlap in mechanism of action with analogous pyridone-containing quinolones. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
beta-oxymorphol
beta-oxymorphol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
Fenoterol
Fenoterol is only found in individuals that have used or taken this drug. It is an adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic. [PubChem]Beta(2)-receptor stimulation by fenoterol in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Fenoterol (Th-1165), a sympathomimetic agent, is a selective and orally active β2-adrenoceptor agonist. Fenoterol is an effective bronchodilator and can be used for bronchospasm associated with asthma, bronchitis and other obstructive airway diseases research[1][2].
gamma-Glutamylarginine
gamma-Glutamylarginine is a dipeptide composed of gamma-glutamate and arginine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylarginine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine
N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine is found in pulses. N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine is a constituent of the seeds of green gram (Vigna radiata). Constituent of the seeds of green gram (Vigna radiata). N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine is found in pulses.
Valyltryptophan
Valyltryptophan is a dipeptide composed of valine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor Dipeptide 2 (N-Valyltryptophan; Val-Trp) is a bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
Tryptophyl-Valine
Tryptophyl-Valine is a dipeptide composed of tryptophan and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glutamylarginine
Glutamylarginine is a dipeptide composed of glutamate and arginine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylarginine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Arginylglutamic acid
Arginylglutamic acid is a dipeptide composed of arginine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Indoleacetyl glutamine
Indoleacetyl glutamine is indolic derivative of tryptophan. It is generated from indoleacetic acid. Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan. Indoleacetyl glutamine frequently occurs at low levels in urine and has been found in elevated levels in the urine of patients with hartnup disease, the characteristic symptoms of the disease are mental retardation and pellagra like skin rash. [HMDB] Indoleacetyl glutamine is indolic derivative of tryptophan. It is generated from indoleacetic acid. Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan. Indoleacetyl glutamine frequently occurs at low levels in urine and has been found in elevated levels in the urine of patients with hartnup disease, the characteristic symptoms of the disease are mental retardation and pellagra like skin rash.
Pimelylcarnitine
Pimelylcarnitine is an acylcarnitine. More specifically, it is an pimelic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Pimelylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine pimelylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxyetodolac
6-Hydroxyetodolac is a metabolite of Etodolac, a novel antiinflammatory agent. Metabolites of Etodolac include etodolac (1,8-diethyl-1,3,4,9-tetrahydropyrano-[3,4-b]indole-1-acetic acid) are described, viz. 6-hydroxyetodolac, N-methyletodolac, 4-ureidoetodolac, 8-(1-hydroxy)etodolac, and 4-oxoetodolac. (PMID: 2970548)
7-Hydroxyetodolac
7-Hydroxyetodolac is a metabolite of Etodolac. Phase I metabolites of Etodolac are 6-hydroxy etodolac (6-OH-ET), 7-hydroxy etodolac (7-OH-ET) and 8-(1-hydroxyethyl) etodolac (8-OH-ET). (PMID: 10961329)
alpha-noroxycodol
alpha-noroxycodol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
beta-noroxycodol
beta-noroxycodol is a metabolite of oxymorphone. Oxymorphone (Opana, Numorphan, Numorphone) or 14-Hydroxydihydromorphinone is a powerful semi-synthetic opioid analgesic first developed in Germany in 1914, patented in the USA by Endo Pharmaceuticals in 1955 and introduced to the United States market in January 1959 and other countries around the same time. It (along with hydromorphone) was designed to have less incidence of side effects than morphine and heroin. (Wikipedia)
Chlorphenoxamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Chlorphenoxamine is a first-generation ethanolamine H1-antihistamine. Chlorphenoxamine is an antihistamine and anticholinergic used as an antipruritic and antiparkinsonian agent. Target: Histamine Receptor
2,2-dimethylpentanedioylcarnitine
2,2-dimethylpentanedioylcarnitine is an acylcarnitine. More specifically, it is an 2,2-dimethylpentanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2,2-dimethylpentanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2,2-dimethylpentanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitine
(2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-4-hydroxy-3-methylpent-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-ethylglutarylCoA lyase deficiency (PMID: 32685354). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
2-Ethylpentanedioylcarnitine
2-Ethylpentanedioylcarnitine is an acylcarnitine. More specifically, it is an 2-ethylpentanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 2-Ethylpentanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-Ethylpentanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)methyl methanesulfonate
5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-
[(1S,2S,4R,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
4-(1-Hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,2-diol
3-(2-Chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl)propan-1-amine
Aptiganel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
Evodiamine
(±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1].
N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
1-Oxononan-4-yl (2R)-2-acetamido-3-sulfanylpropanoate
Zolmitriptan N-Oxide
N2-gamma-L-Glutamyl-L-arginine
Constituent of Allium cepa (onion), Panax ginseng (ginseng). After intravenous administration of DTIC-Dome, the volume of distribution exceeds total body water content suggesting localization in some body tissue, probably the liver. Its disappearance from the plasma is biphasic with initial half-life of 19 minutes and a terminal half-life of 5 hours. 1 In a patient with renal and hepatic dysfunctions, the half-lives were lengthened to 55 minutes and 7.2 hours. 1 The average cumulative excretion of unchanged DTIC in the urine is 40\\% of the injected dose in 6 hours. 1 DTIC is subject to renal tubular secretion rather than glomerular filtration. At therapeutic concentrations DTIC is not appreciably bound to human plasma protein. N2-gamma-L-Glutamyl-L-arginine is found in garden onion, tea, and onion-family vegetables. Constituent of Allium cepa (onion), Panax ginseng (ginseng)
Scopolamine
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Scopolamine hydrobromide appears as colorless crystals or white powder or solid. Has no odor. pH (of 5\\% solution): 4-5.5. Slightly efflorescent in dry air. Bitter, acrid taste. (NTP, 1992) Scopolamine is a tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. It has a role as a muscarinic antagonist, an antiemetic, an adjuvant, a mydriatic agent, an antispasmodic drug, an anaesthesia adjuvant, an antidepressant and a metabolite. It is a propanoate ester, an epoxide, a tertiary amino compound and a tropane alkaloid. It is functionally related to a (S)-tropic acid. It is a conjugate base of a scopolamine(1+). Scopolamine is a tropane alkaloid isolated from members of the Solanaceae family of plants, similar to [atropine] and [hyoscyamine], all of which structurally mimic the natural neurotransmitter [acetylcholine]. Scopolamine was first synthesized in 1959, but to date, synthesis remains less efficient than extracting scopolamine from plants. As an acetylcholine analogue, scopolamine can antagonize muscarinic acetylcholine receptors (mAChRs) in the central nervous system and throughout the body, inducing several therapeutic and adverse effects related to alteration of parasympathetic nervous system and cholinergic signalling. Due to its dose-dependent adverse effects, scopolamine was the first drug to be offered commercially as a transdermal delivery system, Scopoderm TTS®, in 1981. As a result of its anticholinergic effects, scopolamine is being investigated for diverse therapeutic applications; currently, it is approved for the prevention of nausea and vomiting associated with motion sickness and surgical procedures. Scopolamine was first approved by the FDA on December 31, 1979, and is currently available as both oral tablets and a transdermal delivery system. Scopolamine is an Anticholinergic. The mechanism of action of scopolamine is as a Cholinergic Antagonist. Hyoscine is a natural product found in Duboisia leichhardtii, Duboisia myoporoides, and other organisms with data available. Scopolamine is a tropane alkaloid derived from plants of the nightshade family (Solanaceae), specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties. Structurally similar to acetylcholine, scopolamine antagonizes acetylcholine activity mediated by muscarinic receptors located on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. The agent is used to cause mydriasis, cycloplegia, to control the secretion of saliva and gastric acid, to slow gut motility, and prevent vomiting. An alkaloid from SOLANACEAE, especially DATURA and SCOPOLIA. Scopolamine and its quaternary derivatives act as antimuscarinics like ATROPINE, but may have more central nervous system effects. Its many uses include an anesthetic premedication, the treatment of URINARY INCONTINENCE and MOTION SICKNESS, an antispasmodic, and a mydriatic and cycloplegic. A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5225; ORIGINAL_PRECURSOR_SCAN_NO 5222 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5230; ORIGINAL_PRECURSOR_SCAN_NO 5228 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5252; ORIGINAL_PRECURSOR_SCAN_NO 5251 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5243; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 1149; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5254; ORIGINAL_PRECURSOR_SCAN_NO 5252 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2318 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.290 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.274 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.276
4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-(3,3-diaminoprop-2-enylidene)-1H-pyrrole-2-carboxamide
1-(1-oxo-3-phenylpropyl)-3alpha,4alpha-epoxy-5beta-acetyloxy-2-piperidone|3alpha,4alpha-epoxy-5beta-pipermethystine
O7-Me-4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
Methyl 2,3-di-O-acetyl-4-(acetylamino)-4,6-dideoxyhexopyranoside #
6-Methoxy-8-(1-hydroxy-1-methylethyl)-7,8-dihydro-1,3-dioxolo[4,5-h]furo[2,3-b]quinoline
(E)-N-methyl-N-(1-naphthylmethyl)-3-(4-hydroxyphenyl)-2-propen-1-amine
(-)-suaveoline|(6S,13S)-4-ethyl-6,7,12,13-tetrahydro-7-methyl-6,13-imino-5H-pyrido[3,4:5,6]cyclooct[1,2-b]indole|4-ethyl-7-methyl-6,7,12,13-tetrahydro-5H-6,13-epiazano-pyrido[3,4:5,6]cycloocta[1,2-b]indole|Suaveolin|suaveoline|Suaveoline +
Me glycoside,N-Ac,2,4-di-O Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
2-[(3-isopropoy-O-beta-D-glucopyranosyl)oxy]-2-methylbutanenitrile
(-)-8-(alpha-Hydroxy-isopropyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]chinolin-6-on|(-)-8-(alpha-hydroxy-isopropyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|8-(1-hydroxy-1-methyl-ethyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|Hydroxylunin|hydroxylunine
(1alpha,2beta)-1,2-dihydroxy-9,10-[methylenebis(oxy)]galanthan-7-one|1alpha,2beta-dihydroxy-9,10-methanediyldioxy-galanthan-7-one|1alpha,2beta-dihydroxy-9,10-methylenedioxy-galanthan-7-one|7-oxodihydrolycorine|alpha-dihydro-lycorine-lactam|alpha-dihydrolycorine lactam|alpha-dihydrolycorinelactam
(13bS)-8,13,13b,14-tetrahydro-1-methylindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one|Latifoliamide D
(7aS,10R,11aR)-7a,8,9,10,11,11a-hexahydro-5,10-dihydroxy-2,8-dimethyl-4H-pyrano[2?,3?:4,5]benzofuro[2,3-b]pyridin-4-one|chrotacumine E
4-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-1-methyl-piperidin-2-one|N-Me-4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
(6R)-3alpha-benzoyloxy-6beta-acetoxytropane|6beta-acetoxy-3alpha-benzoyloxytropane
3,4-dihydro-5,8,9-trimethoxy-2,2-dimethyl-2h-pyrano[2,3-b]quinoline
6-methoxy-9,9-dimethyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h]pyrano[2,3-b]quinolin-8-ol|Pteleflorin|Pteleflorine
(E)-N-methyl-N-(1-naphthylmethyl)-3-(3-hydroxyphenyl)-2-propen-1-amine
(±)-Evodiamine
(±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1].
Galantamine N-Oxide
Galanthamine N-Oxide is a natural product found in Lycoris sanguinea, Lycoris radiata, and Lycoris incarnata with data available. Galanthamine N-Oxide is an alkaloid obtained from the bulbs of Zephyranthes concolor. Galanthamine N-Oxide inhibits electric eel acetylcholinesterase (AChE) with an EC50 of 26.2 μM. Galanthamine N-Oxide is a prominent inhibitor of substrate accommodation in the active site of the Torpedo californica AChE (TcAChE), hAChE and hBChE enzymes[1][2].
Pipemidic acid
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3075
phenoxybenzamine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents KEIO_ID P206; [MS2] KO009176 KEIO_ID P206
fenoterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CA - Sympathomimetics, labour repressants D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Fenoterol (Th-1165), a sympathomimetic agent, is a selective and orally active β2-adrenoceptor agonist. Fenoterol is an effective bronchodilator and can be used for bronchospasm associated with asthma, bronchitis and other obstructive airway diseases research[1][2].
cocaine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AD - Anesthetics, local S - Sensory organs > S02 - Otologicals > S02D - Other otologicals > S02DA - Analgesics and anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BC - Esters of benzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Atroscine
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
Val Trp
Dipeptide 2 (N-Valyltryptophan; Val-Trp) is a bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
TRP-Val
A dipeptide formed from L-tryptophan and L-valine residues.
Val-TRP
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor Dipeptide 2 (N-Valyltryptophan; Val-Trp) is a bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].
N5-Acetyl-N2-g-glutamylornithine, 9ci
Auramine O
D000890 - Anti-Infective Agents D004396 - Coloring Agents D004202 - Disinfectants
(2E)-N-(2,4-DIMETHYLPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
3-(4-ETHOXY-PHENYL)-3-[(FURAN-2-CARBONYL)-AMINO]-PROPIONIC ACID
2-Acetamido-2-deoxy-4,6-O-isopropylidene-D-glucopyranose
2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester
Hydromorphinol
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Uracil,6-amino-5-(2-anilinoacetamido)-1,3-dimethyl- (5CI)
tert-butyl 3-(2-ethoxy-2-oxoethyl)indole-1-carboxylate
TERT-BUTYL 2-(2-ETHOXY-2-OXOETHYL)-1H-INDOLE-1-CARBOXYLATE
6-METHOXYQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
3-(2-METHOXYCARBONYL-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Benzyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
3-Allyl-1-[(benzyloxy)carbonyl]-3-piperidinecarboxylic acid
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(4-fluorophenyl)-1-piperazinyl]
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(2-fluorophenyl)-1-piperazinyl]-
Ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
3-(2-CARBOXY-1-METHYL-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propanoate
2-Methyl-2-propanyl 1-oxo-3-phenyl-2-oxa-5-azaspiro[3.4]octane-5- carboxylate
tert-Butyl 4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate
1H-Indole-1-carboxylic acid, 5-acetyl-2-borono-, 1-(1,1-dimethylethyl) ester (9CI)
Butoxamine hydrochloride
Butaxamine (Butoxamin) hydrochloride is a specific β2-adrenergic receptor blocker. Butaxamine hydrochloride inhibits the decreases in urine volume in ethanol-anesthetized, water-diuretic rats[1].
Benzyl 2-oxo-3-oxa-9-azaspiro[5.5]undecane-9-carboxylate
5,6-Dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-2(1H)-pyridinone
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetic acid
tert-butyl 3-oxospiro[2-benzofuran-1,4-piperidine]-1-carboxylate
7-((1-METHYLPIPERIDIN-4-YL)METHOXY)-6-METHOXYQUINAZOLIN-4(3H)-ONE
Benzyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
4-(dicyanomethylene)-2-methyl-6-(4-(dimethylamino)styryl)-4H-pyran
tert-butyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
ETHYL 2-(2-[4-(TERT-BUTYL)PHENYL]-1,3-THIAZOL-4-YL)ACETATE
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline
1-Methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane,hydrochloride
1,6-Dihydro-4-hydroxy-1-(4-methoxyphenyl)-2-methyl-6-(oxo)nicotinic acid ethyl ester
4-[1-Methyl-5-(4-morpholinyl)-1H-benzimidazol-2-yl]butanoic acid
3-(3-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)aniline
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
1-(3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRIMIDIN-2-AMINE
Aditoprim
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
1-TERT-BUTYL 6-METHYL 3-FORMYL-1H-INDOLE-1,6-DICARBOXYLATE
5-tert-Butyl-4-diethylaminomethyl-2-methyl-furan-3-carboxylic acid hydrochloride
2-(2,2,2-Trifluoroethoxy)pyridine-3-boronic acid pinacol ester
4-(((benzyloxy)carbonyl)amino)bicyclo[2.2.2]octane-1-carboxylic acid
N-[3-(1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]benzamide
N-(indol-3-ylacetyl)glutamine
A N(2)-acylglutamine that has indol-3-ylacetyl as the acyl group.
N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide
(S)-2-Amino-5-(((S)-1-((carboxymethyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoic acid
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
7-(3,5-Dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
(1-Tert-butyl-5-phenyl-1h-pyrrol-3-yl)(phenyl)methanone
(3Z,5Z)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one
8-(2,5-Dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
3-(4-Phenylamino-phenylamino)-2-(1H-tetrazol-5-YL)-acrylonitrile
Retigabine
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D049990 - Membrane Transport Modulators
(2S)-1-[(3S)-3-{[(3S)-3-ammonio-3-carboxylatopropyl]ammonio}-3-carboxylatopropyl]azetidinium-2-carboxylate
D-nopalinate(1-)
Conjugate base of D-nopaline in which the three carboxy groups are anionic and the secondary amino and guanidino groups are cationic; major species at pH 7.3.
(2S)-1-[(3S)-3-carboxylato-3-[(3-carboxylato-3-hydroxypropyl)azaniumyl]propyl]azetidin-1-ium-2-carboxylate
1-[(3S)-3-[[(3S)-3-amino-3-carboxypropyl]amino]-3-carboxypropyl]azetidine-2-carboxylic acid
1-Oxononan-4-yl (2R)-2-acetamido-3-sulfanylpropanoate
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
7-methyl-7,8-dihydro-6H-dichromeno[3,2-c:2,3-d]pyridine
1-[[(1-Methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol
2-[2-(Ethylthio)-1-benzimidazolyl]-1-(1-piperidinyl)ethanone
1-(1-Adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone
[(4R,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Leu-Asp-Gly
A tripeptide composed of L-leucine, L-aspartic acid and glycine joined in sequence by peptide linkages.
diethyl 6-methyl-4-oxo-4H-quinolizine-1,3-dicarboxylate
4,6-Dimethyl-3-(3-naphthalen-1-yl-acryloyl)-1H-pyridin-2-one
1-[[(1,3-Dimethyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-methylphenyl)thiourea
N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]cyclopentanecarboxamide
8-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
5-(3-Methylbutyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
5-[(3-Hydroxypropylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
O-pimelylcarnitine
An O-acylcarnitine in which the acyl group specified is pimelyl.
7-(4-Fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(methylthio)phenyl]methanamine
3-amino-2,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one
3-hydroxy-7-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
3-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
(4S)-4-(6-carboxyhexanoyloxy)-4-(trimethylazaniumyl)butanoate
6,8,10-Trimethylbenzo[4,5]cyclohepta[1,2-b]indole-9,11-diol
[(2R,3R,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2R,3R,6R)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2R,3S,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
[(2S,3S,6R)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide
Discadenine(1-)
An L-alpha-amino-acid anion that is the conjugate base formed when discadenine (a 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position) is deprotonated.
1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium
2-[(1S)-1,8-diethyl-6-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
2-amino-3-methyl-4H-imidazol-5-one;2-(6-methoxy-1H-indol-3-yl)ethanamine
(7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctanoate
propan-2-yl 3a,8b-dihydroxy-2-methyl-4-oxo-3H-indeno[1,2-b]pyrrole-3-carboxylate
8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctanoate
2-[(1S)-1-ethyl-8-(2-hydroxyethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
2-[(1S)-1,8-diethyl-7-hydroxy-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Sdccgsbi-0051046.P002
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
[(2R,4S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
2-(2-Hydroxyethoxy)-N-(2-(dimethylamino)ethyl)-4-qutnolinecarboxamide
N(6)-[(indol-3-yl)acetyl]-L-lysine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
D-23129
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D049990 - Membrane Transport Modulators Same as: D09569
Aptiganel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
O-pimelyl-L-carnitine
An O-acyl-L-carnitine that is L-carnitine having a pimelyl group as the acyl substituent.
N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
(S,S,S)-nicotianamine trizwitterion
An amino acid zwitterion resulting from transfer of three protons from the carboxy to the amino groups of (S,S,S)-nicotianamine. One of two major microspecies at physiological pH.
N(6)-[(indol-3-yl)acetyl]-L-lysine zwitterion
Zwitterionic form of N(6)-[(indol-3-yl)acetyl]-L-lysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
pyranonigrin K
A member of the class of pyranopyrroles with formula C17H21NO4, originally isolated from Aspergillus niger.
(5s)-5,8,9-trimethoxy-2,10-dimethyl-4h,5h-pyrano[2,3-b]quinoline
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
(1s,10s,12s,15r)-4,12-dimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5,13-tetraene-5,15-diol
(13s)-13-(2-hydroxypropan-2-yl)-16-methyl-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15)-tetraen-10-one
(2s,3r,4s,6s)-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-3,4-diol
4-(5,7-dihydroxy-2-methyl-4-oxochromen-6-yl)-1-methylpiperidin-2-one
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,14-tetraene-13,16,17-triol
(1s,2r,4s,5s,7r)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 3-hydroxy-2-phenylpropanoate
(1s,14r,15s,16s)-4,5-dimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraene-14,15-diol
(1s,2r,12s,14r)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
5-({[2-hydroxy-2-(4-hydroxyphenyl)ethyl](methyl)amino}methyl)-2-methoxyphenol
(1r,2r,12s,14s)-9-methoxy-3-methyl-11-oxa-3-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraene-2,14-diol
2-methyl-10-{[(1e)-2-phenylethenyl]amino}-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
5-(6-methoxy-2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one
6-[(1r,2s,4ar,6r,8ar)-6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-amino-2-oxopyran-3-carbaldehyde
2-amino-4-[(4-carbamimidamido-1-carboxybutyl)-c-hydroxycarbonimidoyl]butanoic acid
3α,4α-epoxy-5β-pipermethystine
{"Ingredient_id": "HBIN007918","Ingredient_name": "3\u03b1,4\u03b1-epoxy-5\u03b2-pipermethystine","Alias": "NA","Ingredient_formula": "C16H17NO5","Ingredient_Smile": "CC(=O)OC1CN(C(=O)C2C1O2)C(=O)CCC3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7187","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
