Exact Mass: 261.1436974
Exact Mass Matches: 261.1436974
Found 500 metabolites which its exact mass value is equals to given mass value 261.1436974,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lotaustralin
Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Epilotaustralin is found in cereals and cereal products. Epilotaustralin is isolated from Triticum monococcum (wheat). Glycoside from Trifolium repens (white clover) and other plants Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].
methapyrilene
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents
Phenindamine
Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold. Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Acrifoline
A quinolizidine alkaloid that is lycopodine having a C=C double bond at the 11-position, a keto substituent at the 8-position and the keto group at position 5 replaced by a beta-hydroxy group.
Bufuralol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Bufuralol (Ro 3-4787) is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate[1][2][3][4].
Hexylcaine
Hexylcaine hydrochloride, also called cyclaine (Merck) or osmocaine, is a short-acting local anesthetic. It acts by inhibiting sodium channel conduction. Overdose can lead to headache, tinnitus, numbness and tingling around the mouth and tongue, convulsions, inability to breathe, and decreased heart function. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid
C15H19NO3 (261.13648639999997)
Epidermin
Epidermin is found in cereals and cereal products. Epidermin is a constituent of barley (Hordeum vulgare) Constituent of barley (Hordeum vulgare). Epidermin is found in barley and cereals and cereal products.
Serylarginine
Serylarginine is a dipeptide composed of serine and arginine. 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.
Arginylserine
Arginylserine is a dipeptide composed of arginine and serine. 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.
Lysylaspartic acid
Lysylaspartic acid is a dipeptide composed of lysine and aspartic acid. 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.
Aspartyllysine
Aspartyllysine is a hydrophilic dipeptide composed of aspartic acid and lysine. 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. Aspartyllysine is widely distributed in nature and is present in wheat, fish, and other nutrients. It has been demonstrated to be absorbed by the intestinal H+/peptide transporter PepT1. It is excreted by the kidney-specific high-affinity H+/peptide cotransport system (PMID:1982012, 9922316, 7589991). alpha-Aspartyl-lysine is an hydrophilic dipeptide widely distributed in nature. It is present in wheat, fish and other nutrients. It has been demonstrated to be absorbed aided by the intestinal H+/Peptide transporter PepT1. It is excreted by the kidney-specific high-affinity H+/peptide cotransport system. (PMID: 1982012, 9922316, 7589991) [HMDB]
Gamma glutamyl ornithine
Gamma glutamyl ornithine is found in human urine. - PubMed reference: 1148212. Gamma-glutamylornithine has been identified in urine from patients with the HHH syndrome (hyperornithinemia, hyperammonemia and homocitrullinuria) and with gyrate atrophy associated with hyperornithinemia. The amount of gamma-glutamylornithine excreted was 10-15 times higher than that excreted in normal subjects. - PubMed reference: 6547887.
N6-beta-Aspartyllysine
N6-beta-Aspartyllysine is an unusual urinary dipeptide. This compound was observed in children in various disease states, but without any correlation with a particular symptom (PMID 618685). 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.
Aspartyl-Lysine
Aspartyl-Lysine is a dipeptide composed of aspartate and lysine. 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.
Camelinin
Camelinin is found in fats and oils. Camelinin is isolated from seeds of Camelina sativa (false flax). Isolated from seeds of Camelina sativa (false flax). Camelinin is found in fats and oils.
desmethylcyclobenzaprine
desmethylcyclobenzaprine is a metabolite of cyclobenzaprine. Cyclobenzaprine, brand name Flexeril, is a muscle relaxant medication used to relieve skeletal muscle spasms and associated pain in acute musculoskeletal conditions. It is the most well-studied drug for this application, and it also has been used off-label for fibromyalgia treatment. A new bedtime formulation of cyclobenzaprine is under development for the management of fibromyalgia syndrome. (Wikipedia)
Hydroxyl frovatriptan
C14H19N3O2 (261.14771939999997)
Hydroxyl frovatriptan is a metabolite of frovatriptan. Frovatriptan (trade name Frova) is a triptan drug developed by Vernalis for the treatment of migraine headaches and for short term prevention of menstrual migraine. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe. (Wikipedia)
Beta-hydroxyisovaleroylcarnitine
3-Hydroxyisovalerylcarnitine is structual derivative of 3-hydroxyisovaleric acid and carnitine. Due to its increased concentration in blood, 3-hydroxyisovalerylcarnitine (C5OH-I) is an important indicator for the diagnosis of organic acidemias in newborns (PMID: 18088573). Analysis of acylcarnitines by tandem mass spectrometry (MS/MS) has recently been used to screen newborns for organic acidemias and fatty acid oxidation defects (PMID: 7494654, 9216448, 11427446, 12127323, 14578311). These diseases cause the accumulation of acyl-CoA, which is esterified to acylcarnitine by carnitine acyltransferase. Acylcarnitine is then eliminated in the urine, thus acylcarnitine concentration serves as an excellent indicator for these diseases (PMID: 6361812). 3-Hydroxyisovalerylcarnitine (C5OH-I) is an indicator for diagnoses of multiple carboxylase deficiency (MCD), 3-methylcrotonyl-CoA carboxylase deficiency and 3-hydroxy-3-methylglutaryl-CoA lyase deficiency (PMID: 18088573), which are inborn errors of metabolism.
Succinyl Carnitine
Succinylcarnitine is an acylcarnitine. More specifically, it is an succinic 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. Succinylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Succinylcarnitine 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), it has been identified in the human placenta (PMID: 32033212 ). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. 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].
hydroxyisovaleroyl carnitine
hydroxyisovaleroyl carnitine is classified as a member of the Acyl carnitines. Acyl carnitines are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. hydroxyisovaleroyl carnitine is considered to be practically insoluble (in water) and acidic. hydroxyisovaleroyl carnitine is a fatty ester lipid molecule
O-methylmalonyl-L-carnitine
O-methylmalonyl-L-carnitine is considered to be practically insoluble (in water) and acidic
Thenyldiamine
Thenyldiamine is an ethylenediamine H1-antihistamine.
2-Hydroxyisovalerylcarnitine
2-Hydroxyisovalerylcarnitine belongs to the class of organic compounds known as acylcarnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. 2-Hydroxyisovalerylcarnitine is an extremely weak basic (i. e. Human blood levels of 2-hydroxyisovalerylcarnitine were reported to be influenced by genetic variants in the gene HLCS which codes for the enzyme holocarboxylase synthetase (PMID: 26401656). Holocarboxylase synthetase deficiency (OMIM: 253270), also called HLCS deficiency, is a rare inborn error of metabolism (IEM) and autosomal recessive disorder caused by a defective holocarboxylase synthetase. Individuals with HLCS deficiency are unable to utilize biotin effectively.
O-Methylmalonylcarnitine
O-Methylmalonylcarnitine is an acylcarnitine. More specifically, it is an methylmalonic 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. O-Methylmalonylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine O-Methylmalonylcarnitine 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. 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].
(2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine
(2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine is an acylcarnitine. More specifically, it is an (2S,3R)-3-hydroxy-2-methylbutanoic 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. (2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine 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. 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].
3-Hydroxyvalerylcarnitine
3-Hydroxyvalerylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxypentanoic 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. 3-Hydroxyvalerylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-Hydroxyvalerylcarnitine 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 3-Hydroxyvalerylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency (PMID: 28583327) and holocarboxylase synthetase deficiency (PMID: 27114915). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 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].
5-Hydroxypentanoylcarnitine
5-hydroxypentanoylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxypentanoic 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. 5-hydroxypentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 5-hydroxypentanoylcarnitine 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 5-hydroxypentanoylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency (PMID: 28583327) and holocarboxylase synthetase deficiency (PMID: 27114915). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 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].
5-[1-Carboxy-2-(trimethylazaniumyl)ethoxy]-5-oxopentanoate
Pinacidil pyridine N-oxide
(2S)-2-Amino-3-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropanoic acid
Setiptiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant Setiptiline (Org-8282) is a serotonin receptor antagonist. Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). Setiptiline acts as a norepinephrine reuptake inhibitor, α2-adrenergic receptor antagonist, and serotonin receptor antagonist, likely at the 5-HT2A, 5-HT2C, and/or 5-HT3 subtypes, as well as an H1 receptor inverse agonist/antihistamine.
Ximoprofen
C15H19NO3 (261.13648639999997)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Zilpaterol
C14H19N3O2 (261.14771939999997)
(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Epiheterodendrin
Epiheterodendrin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Epiheterodendrin is soluble (in water) and a very weakly acidic compound (based on its pKa). Epiheterodendrin can be found in barley, which makes epiheterodendrin a potential biomarker for the consumption of this food product.
(-)-N-(N-Acetylaminomethyl)cytisine
C14H19N3O2 (261.14771939999997)
Axisothiocyanate 4
Bassiatin
C15H19NO3 (261.13648639999997)
A member of the class of morpholines that is morpholine-2,5-dione substituted by a benzyl, isopropyl and a methyl group at positions 3, 6 and 4 respectively. It is isolated from the culture broth of the fungus Beauveria bassiana and acts as a platelet aggregation inhibitor.
Zilpaterol
C14H19N3O2 (261.14771939999997)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Prodine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Ethyl 5-cyano-2-(diethylamino)-6-methylnicotinate
C14H19N3O2 (261.14771939999997)
N-(1-Adamantyl)-N-(2-cyanoacetyl)urea
C14H19N3O2 (261.14771939999997)
(+)-6beta-benzoyloxytropan-3alpha-ol|1alphaH,5alphaH-Tropan-3alpha,6beta-diol-6-benzoat|3alpha-Hydroxy-6beta-benzoyloxytropane|6beta-benzoyloxytropan-3alpha-ol|hydroxy-3alpha benzoyloxy-6beta tropane
C15H19NO3 (261.13648639999997)
(+/-)-Paraensine|4-hydroxy-3-(2-hydroxy-1,2-dimethyl-propyl)-1-methyl-1H-quinolin-2-one|paraensine|Paraensine+
C15H19NO3 (261.13648639999997)
(2E,4E,6E)-N-(2-methylpropyl)-7-(2-thienyl)-2,4-6-heptatrienamide|(2E,4E,6E)-N-isobutyl-7-(2-thienyl)-2,4,6-heptatrienamide|(2E,4E,6E)-N-isobutyl-7-(2-thienyl)heptatrienamide|N-Isobutylotanthusic acid amide|Otanthussaeure-isobutylamid
3,10-Dioxo-12-methyl-decahydro-1H-8,10b-propano-benzo(ij)chinolin|3,10-Dioxo-12-methyl-decahydro-1H-8,10b-propano-benzochinolin|3,10-Dioxo-12-methyldecahydro-1H-8,10b-propano-benzochinolizin
3alpha-(4-methoxybenzoyloxy)nortropane|merresectine A
C15H19NO3 (261.13648639999997)
Me glycoside,N,2-di-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
(-)-pinolinone|(3S,4R)-3,4-dihydroxy-1-methyl-3-(3-methylbut-2-en-1-yl)-3,4-dihydroquinolin-2(1H)-one|pinolinone
C15H19NO3 (261.13648639999997)
2-hydroxymethylbutanenitrile beta-D-glucopyranoside|supinanitriloside A
7-(4-aminophenyl)-2,4-dimethyl-7-oxohept-5-enoic acid
C15H19NO3 (261.13648639999997)
Me glycoside,N,4-di-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
8-Deoxy-13-dehydroserratinin|8-deoxy-13-dehydroserratinine
(?)-4-(4-methoxyphenyl)-1-piperidin-2-ylbutan-2-one|1-(2-piperidyl)-4-(p-methoxyphenyl)-2-butanone|1-(2-piperidyl)-4-(p-methoxyphenyl)-butanone-2
gamma-Glu-Orn|gamma-Glutamyl-alpha-ornitine|L-L-N2-gamma-Glutamylornithine
methyl 5-acetamido-1,7-anhydro-3,5-dideoxy-beta-D-galacto-octulopyranoside
3alpha-phenylacetoxynortropan-6beta-ol
C15H19NO3 (261.13648639999997)
(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenemide|Lanyuamide V
3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
C15H19NO3 (261.13648639999997)
(2R)-2-methyl-3-(beta-D-glucopyranosyloxy)butanenitrile
C11H19NO6_Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl
C11H19NO6_3-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile
C15H19NO3_4-Methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-1-isoindolinone
C15H19NO3 (261.13648639999997)
Lotaustralin
Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].
3-Hydroxyisovalerylcarnitine
C12H23O5N1 (261.15761480000003)
3-hydroxyisovalerylcarnitine is an O-acylcarnitine having 3-hydroxyisovaleryl as the acyl substituent. It has a role as a human metabolite. It is functionally related to a 3-hydroxyisovaleric acid. 3-Hydroxyisovalerylcarnitine is a specific amino acid derivative that belongs to the class of compounds known as carnitines. This molecule plays a crucial role in the transport of fatty acids into the mitochondria for oxidation, a key process in energy production. The name "3-Hydroxyisovalerylcarnitine" reflects its chemical structure: it consists of a carnitine moiety attached to a 3-hydroxyisovaleryl group. The term "3-hydroxyisovaleryl" refers to a side chain derived from a pentanoic acid (a five-carbon acid) that contains a hydroxyl group (-OH) bonded to the third carbon atom in the chain. This hydroxyl group is critical for the compound's function and is a distinguishing feature of this particular carnitine derivative. 3-Hydroxyisovalerylcarnitine involved in fatty acid metabolism, characterized by its unique hydroxyisovaleryl substituent attached to the carnitine backbone.
Arg-ser
A dipeptide formed from L-arginine and L-serine residues.
Asp-lys
A dipeptide formed from L-alpha-aspartyl and L-lysine residues.
Lys-asp
A dipeptide formed from L-lysine and L-aspartic acid residues.
3,4-Methylenedioxy-α-pyrrolidinobutiophenone
C15H19NO3 (261.13648639999997)
(2S,4R)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBOXYLICACIDMETHYLESTER,98\\%E.E.,95
C15H19NO3 (261.13648639999997)
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a-dihydroimidazo[4,5-b]pyridin-2-one
(S)-4-Benzyl-3-(3-methylbutanoyl)oxazolidin-2-one
C15H19NO3 (261.13648639999997)
3-Acetamidophenylboronic acid, pinacol ester
C14H20BNO3 (261.15361600000006)
1-CBZ-PIPERIDINE-4-CARBOXAMIDINE HYDROCHLORIDE
C14H19N3O2 (261.14771939999997)
(4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid
C14H20BNO3 (261.15361600000006)
ethyl 1-(4-formylphenyl)piperidine-4-carboxylate
C15H19NO3 (261.13648639999997)
Piperidine,2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]-, (2S)-
(S)-TERT-BUTYL 4-OXO-2-PHENYLPYRROLIDINE-1-CARBOXYLATE
C15H19NO3 (261.13648639999997)
(S)-TERT-BUTYL 3-FORMYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
C15H19NO3 (261.13648639999997)
(R)-3-(3-Methylbutanoyl)-4-benzyloxazolidin-2-one
C15H19NO3 (261.13648639999997)
benzyl 3-acetylpiperidine-1-carboxylate
C15H19NO3 (261.13648639999997)
3-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester
C14H20BNO3 (261.15361600000006)
Benzyl 4-(2-oxoethyl)piperidine-1-carboxylate
C15H19NO3 (261.13648639999997)
tert-Butyl (5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylcarbamate
C14H19N3O2 (261.14771939999997)
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
C14H20BNO3 (261.15361600000006)
Methyl 4-(cyclohexylcarbamoyl)benzoate
C15H19NO3 (261.13648639999997)
4-[butyl(propyl)amino]-2-nitrobenzonitrile
C14H19N3O2 (261.14771939999997)
4-[butan-2-yl(propyl)amino]-2-nitrobenzonitrile
C14H19N3O2 (261.14771939999997)
5-[butyl(propyl)amino]-2-nitrobenzonitrile
C14H19N3O2 (261.14771939999997)
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
C14H20BNO3 (261.15361600000006)
(S)-2-amino-N-((S)-3-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)propanamide
C14H19N3O2 (261.14771939999997)
5-[butan-2-yl(propyl)amino]-2-nitrobenzonitrile
C14H19N3O2 (261.14771939999997)
4-[hexyl(methyl)amino]-2-nitrobenzonitrile
C14H19N3O2 (261.14771939999997)
2-(4-Methoxybenzyl)-1,3,3-triMethylpiperidin-4-one
methyl 1-benzyl-2-oxoazepane-3-carboxylate
C15H19NO3 (261.13648639999997)
(4-OXO-CYCLOHEXYLMETHYL)-CARBAMIC ACID BENZYL ESTER
C15H19NO3 (261.13648639999997)
Ethyl 1-methyl-4-oxo-5-phenyl-3-piperidinecarboxylate
C15H19NO3 (261.13648639999997)
benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
C15H19NO3 (261.13648639999997)
7,7-dimethyl-3-pentyl-6,8-dihydro-1H-quinoline-2,5-dione
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE
C14H20BNO3 (261.15361600000006)
Benzenemethanaminium,N,N-dimethyl-N-(phenylmethyl)-, chloride (1:1)
(s)-methyl 4-(boc-(methyl)amino)-5-hydroxypentanoate
3-(1-Benzyl-pyrrolidin-3-yl)-3-oxo-propionic acid methyl ester
C15H19NO3 (261.13648639999997)
[8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]Methylamine
ethyl 1-benzyl-3-hydroxy-5,6-dihydro-2H-pyridine-4-carboxylate
C15H19NO3 (261.13648639999997)
Ethyl 1-benzyl-4,4-dimethylpyrrolidine-3-carboxylate
8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
methyl 1-(2-phenylethyl)-4-oxo-piperidine-3-carboxylate
C15H19NO3 (261.13648639999997)
N-BOC-(2R,3S)-2-HYDROXY-3-AMINO-5-METHYLHEXANOIC ACID
N-CYCLOPROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE
ethyl 2-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
tert-butyl 7-formyl-3,4-dihydro-2H-quinoline-1-carboxylate
C15H19NO3 (261.13648639999997)
Benzenemethanamine,a-methyl-N-[(1R)-1-phenylethyl]-,hydrochloride (1:1), (aR)-
Benzyl 2-(2-oxoethyl)-1-piperidinecarboxylate
C15H19NO3 (261.13648639999997)
ETHYL 3H-SPIRO[ISOBENZOFURAN-1,4-PIPERIDINE]-1-CARBOXYLATE
C15H19NO3 (261.13648639999997)
Boc-(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
(2S,3S)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-5-METHYLHEXANOIC ACID
1-Piperidinecarboxylic acid, 4-phenyl-, 1,1-dimethylethyl ester
4’-piperidinocarbonylmethoxy-acetophenon
C15H19NO3 (261.13648639999997)
1-BENZYL-5-METHYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
C15H19NO3 (261.13648639999997)
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine
C14H20BNO3 (261.15361600000006)
1,1-(4-allyloxy-6-ethylamino-1,3-phenylene)diethanone
C15H19NO3 (261.13648639999997)
benzyl 4-acetylpiperidine-1-carboxylate
C15H19NO3 (261.13648639999997)
1-Piperidinecarboxylic acid, 4-ethenyl-4-hydroxy-, phenylmethyl ester
C15H19NO3 (261.13648639999997)
ethyl 1-(2-formylphenyl)piperidine-4-carboxylate
C15H19NO3 (261.13648639999997)
3,3-({[(2-Methyl-2-propanyl)oxy]carbonyl}imino)dipropanoic acid (non-preferred name)
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C14H20BNO3 (261.15361600000006)
(R)-N-(3-((2-AMINOETHYL)AMINO)-3-OXOPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDE
1-(4-(3-Methoxypropoxy)quinolin-2-yl)ethanol
C15H19NO3 (261.13648639999997)
6-FLUORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1-Piperidinecarboxylic acid, 3-hydroxy-4,4-dimethoxy-, 1,1-dimethylethyl ester
(3-(CYCLOHEXYL(METHYL)CARBAMOYL)PHENYL)BORONIC ACID
C14H20BNO3 (261.15361600000006)
1-BENZOYL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
C15H19NO3 (261.13648639999997)
2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)thioxanthen-9-one
N-(3-aminopropyl)-1,1,2,2,3,3,4,4-octadeuteriobutane-1,4-diamine,trihydrochloride
ethyl (1S,2S)-2-[(1S)-phenylethyl]aminocyclopentane-1-carboxylate
propan-2-yl 1-methyl-4-phenylpiperidine-4-carboxylate
ethyl 4,4-difluoro-3-oxo-2-(piperidin-1-ylmethylene)butanoate
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol ester
C14H20BNO3 (261.15361600000006)
4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
C14H19N3O2 (261.14771939999997)
1-BOC-3-HYDROXYMETHYL-5-METHYLINDOLE
C15H19NO3 (261.13648639999997)
1-BOC-3-HYDROXYMETHYL-7-METHYLINDOLE
C15H19NO3 (261.13648639999997)
1-BOC-3-HYDROXYMETHYL-2-METHYLINDOLE
C15H19NO3 (261.13648639999997)
4-[1-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)-1-METHYLETHYL]-BENZENEETHANOL
1-Benzyl-3-Oxo-Piperidine-4-Carboxylic Acid Ethyl Ester
C15H19NO3 (261.13648639999997)
benzyl (2S)-2-(2-oxoethyl)piperidine-1-carboxylate
C15H19NO3 (261.13648639999997)
1-METHYL-5-AMINO-1H-BENZIMIDAZOLE-2-BUTANOIC ACID ETHYLESTER
C14H19N3O2 (261.14771939999997)
boc-(2r,3r)-3-amino-2-hydroxy-5-methylhexanoic acid
1-BOC-3-HYDROXYMETHYL-6-METHYLINDOLE
C15H19NO3 (261.13648639999997)
(R)-3-FORMYL-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H19NO3 (261.13648639999997)
2-Acetylaminophenylboronic acid pinacol ester
C14H20BNO3 (261.15361600000006)
N-[3-[(2-Cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide
C14H19N3O2 (261.14771939999997)
tert-Butyl 3-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
C15H19NO3 (261.13648639999997)
ethoheptazine
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
(2S,3S)-N-3-HYDROXYPYRROLIDIN-PHENYL-GLYCINAMIDE
C15H19NO3 (261.13648639999997)
1,3-PIPERIDINEDICARBOXYLIC ACID, 3-FLUORO-, 1-(1,1-DIMETHYLETHYL) 3-METHYL ESTER
Benzyl 4-formylcyclohexylcarbamate
C15H19NO3 (261.13648639999997)
9-Hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-one
C14H19N3O2 (261.14771939999997)
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
C15H19NO3 (261.13648639999997)
1-(1,3-Benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone
C15H19NO3 (261.13648639999997)
(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
l-1,2-Diphenyl-1-dimethylaminoethane hydrochloride
3-(Benzyl(methyl)amino)-1-(thiophen-2-yl)propan-1-ol
(3r,11Bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid
C15H19NO3 (261.13648639999997)
1H-Indole-2-carboxylic acid, 1-(trimethylsilyl)-, ethyl ester
dl-alpha-Prodine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Setiptiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant Setiptiline (Org-8282) is a serotonin receptor antagonist. Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). Setiptiline acts as a norepinephrine reuptake inhibitor, α2-adrenergic receptor antagonist, and serotonin receptor antagonist, likely at the 5-HT2A, 5-HT2C, and/or 5-HT3 subtypes, as well as an H1 receptor inverse agonist/antihistamine.
(3S)-3-[(3-hydroxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
2,6-Diamino-7-(1-carboxyethylamino)-7-oxoheptanoic acid
thenyldiamine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
(R)-3-((3-Hydroxy-3-methylbutanoyl)oxy)-4-(trimethylammonio)butanoate
ximoprofen
C15H19NO3 (261.13648639999997)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[1-Carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
3-[(2R)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
(2S)-2-Amino-3-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropanoic acid
(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
C14H19N3O2 (261.14771939999997)
2-Methyl-5-phenyl-3,5-dihydropyrazolo[1,5-c]quinazoline
Thr-Ala-Ala
A tripeptide composed of L-threonine and two L-alanine units joined by peptide linkages.
8-Methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
(2Z)-2-{[(2,5-dimethoxyphenyl)amino]methylidene}cyclohexanone
C15H19NO3 (261.13648639999997)
3-Hydroxy-3-[hydroxy-(trimethylazaniumyl)methyl]-6-methyl-4-oxoheptanoate
(3Z,6Z)-dodeca-3,6-dien-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
(3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z,6Z)-dodeca-3,6-dien-1-yl group.
6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexanoate
(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
C14H19N3O2 (261.14771939999997)
1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-propan-2-ylthiourea
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhexanoate
1H-Indole-2,3-dione, 5-isopropyl-1-(trimethylsilyl)-
1-Benzyl-3-trimethylsilanyloxy-1,2,3,6-tetrahydropyridine
N-(3-(4-Methoxyphenyl)propionyl)piperidin-2-one
C15H19NO3 (261.13648639999997)
N-(3,3-Dideutero-3-(4-methoxyphenyl)propionyl)piperidin-2-one
C15H19NO3 (261.13648639999997)
N-(2,2-Dideutero-3-(4-methoxyphenyl)propionyl)piperidin-2-one
C15H19NO3 (261.13648639999997)
N-(2,2,3,3-Tetradeutero-3-(4-methoxyphenyl)propionyl)piperidin-2-one
C15H19NO3 (261.13648639999997)
1,1,1,3,3,3-(Hexamethyl)-2-(trimethylsilylmethyl)trisilane
Phenindamine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
methapyrilene
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents
Bufuralol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Bufuralol (Ro 3-4787) is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate[1][2][3][4].
Hydroxyisovaleroylcarnitine
An O-acylcarnitine having 3-hydroxyisovaleryl as the acyl substituent.
O-methylmalonylcarnitine
An O-acylcarnitine having methylmalonyl as the acyl substituent.
O-methylmalonyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is methylmalonyl.
O-(3-hydroxyvaleryl)-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as 3-hydroxyvaleryl.
oscr#12(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#12, obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-(hydroxyvaleryl)carnitine
An O-acylcarnitine having hydroxyvaleryl as the acyl substituent in which the position of the hydroxy group is unspecified.
O-hydroxyvaleroyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is hydroxyvaleroyl in which the position of the hydroxy group is unspecified.
4,4-Diphenylbutylamine (hydrochloride)
4,4-Diphenylbutylamine shows affinity for the 5-HT2A and H1 receptors with Kis of 2589 and 1670 nM, respectively[1].
(5e)-7-(4-aminophenyl)-2,4-dimethyl-7-oxohept-5-enoic acid
C15H19NO3 (261.13648639999997)
(1s,2s,4ar,8as)-1-isothiocyanato-4a-methyl-8-methylidene-2-(prop-1-en-2-yl)-octahydronaphthalene
(1s,10s,13s,14r,15s)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
(1r,2r,3r,5r,7r,7ar)-5-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol
(2r,4s,5e)-7-(4-aminophenyl)-2,4-dimethyl-7-oxohept-5-enoic acid
C15H19NO3 (261.13648639999997)
4-[(2s)-1-isopropyl-4-methyl-5,6-dihydro-2h-pyridin-2-yl]-5-methylbenzene-1,3-diol
(1ar,7r,7ar,7bs)-4-amino-1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalene-2,3,5-trione
C15H19NO3 (261.13648639999997)
(1s,4s,10s,13s,15r)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
n-{[(1r,9s)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl]methyl}ethanimidic acid
C14H19N3O2 (261.14771939999997)
(2r)-3-methyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
15-methoxy-4-oxa-9-azatetracyclo[7.7.0.0¹,¹².0²,⁶]hexadeca-2(6),12-dien-3-one
C15H19NO3 (261.13648639999997)
3-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)prop-2-en-1-one
C15H19NO3 (261.13648639999997)
4-hydroxy-3-[(2r)-3-hydroxy-3-methylbutan-2-yl]-1-methylquinolin-2-one
C15H19NO3 (261.13648639999997)
9-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)methyl]-6-methyl-7-oxatricyclo[4.3.0.0³,⁹]nonan-8-one
C15H19NO3 (261.13648639999997)
(6r,6as,8r,10s,10ar)-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol
n-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenimidic acid
4-hydroxy-3-(3-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
C15H19NO3 (261.13648639999997)
(2e)-3-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)prop-2-en-1-one
C15H19NO3 (261.13648639999997)
3',5'-dimethoxy-cinnamicacid pyrrolidine
C15H19NO3 (261.13648639999997)
{"Ingredient_id": "HBIN007652","Ingredient_name": "3',5'-dimethoxy-cinnamicacid pyrrolidine","Alias": "NA","Ingredient_formula": "C15H19NO3","Ingredient_Smile": "COC1=CC(=CC(=C1)C=CC(=O)N2CCCC2)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6215","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-deoxy-13-dehydroserratinine
{"Ingredient_id": "HBIN013703","Ingredient_name": "8-deoxy-13-dehydroserratinine","Alias": "NA","Ingredient_formula": "C16H23NO2","Ingredient_Smile": "CC1CC2CC(=O)C3CCN4C3C2(CCC4)C(=O)C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38592","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
(1s,2r,3r,5s,7ar)-5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
(1s,8ar)-4-isopropyl-1-isothiocyanato-1,6-dimethyl-3,7,8,8a-tetrahydro-2h-naphthalene
6-methoxy-3-pentylisoquinoline-1,8-diol
C15H19NO3 (261.13648639999997)
3-[(1,3-dihydroxypropan-2-yl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
3-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
2-[(1-carboxy-2-methylbutyl)amino]pentanedioic acid
(4s,6s)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
(1s,10s,13s,14s,15s)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
(2r,4as,11ar,13as)-2-methyl-decahydro-1h-indeno[3a,3-i]indolizine-4,12-dione
(1r,9s,11s,13s,14r)-9,11,13,14-tetramethyl-8-oxa-6-azatricyclo[7.4.1.0²,⁷]tetradeca-2,4,6-trien-3-ol
2-amino-4-[(4-amino-1-carboxybutyl)-c-hydroxycarbonimidoyl]butanoic acid
(1r,2s,4r,6s,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-15-en-8-one
14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
(1ar,7r,7ar)-4-amino-1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalene-2,3,5-trione
C15H19NO3 (261.13648639999997)
(4r,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
(1r,2r,10s,12s,13r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one
5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol
(1s,2r,3r,5s,7ar)-5-[(1r,3s)-1,3-dihydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
(2r)-2-methyl-2-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
(1s,10s,12s,13r,15r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
2-methyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one
2-[(1-carboxy-3-methylbutyl)amino]pentanedioic acid
9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),3,5-trien-3-ol
9,11,13,14-tetramethyl-8-oxa-6-azatricyclo[7.4.1.0²,⁷]tetradeca-2,4,6-trien-3-ol
(2s)-2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)butanenitrile
(1r,2r,13r,15r)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-10-en-12-one
(1r,4r,5s,6r,9s)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-one
(3r,6s)-3-benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
C15H19NO3 (261.13648639999997)
11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-10-en-12-one
(2e,4e,8e,10e)-n-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenimidic acid
(12s)-3,15,20-triazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,13,15,17-heptaene
3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
(4s,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
(1r,3r,5s,6r)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl benzoate
C15H19NO3 (261.13648639999997)
(1r,2r,3r,5r,7r,7ar)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol
(1r,3r,5s,6r)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl 2-phenylacetate
C15H19NO3 (261.13648639999997)
(1s,10s,13r,15s)-13-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
(2r)-2-{[(1s)-1-carboxy-3-methylbutyl]amino}pentanedioic acid
(1r,15r)-15-methoxy-4-oxa-9-azatetracyclo[7.7.0.0¹,¹².0²,⁶]hexadeca-2(6),12-dien-3-one
C15H19NO3 (261.13648639999997)
2-methyl-3-[(2z)-4-(4-methylidenecyclohexyl)-5-oxofuran-2-ylidene]propanimidic acid
C15H19NO3 (261.13648639999997)
(3s,4r)-3,4-dihydroxy-1-methyl-3-(3-methylbut-2-en-1-yl)-4h-quinolin-2-one
C15H19NO3 (261.13648639999997)
(1r,2r,3s,10s,13s)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one
12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one
(1s,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione
6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione
(2s)-2-amino-4-{[(1s)-4-amino-1-carboxybutyl]-c-hydroxycarbonimidoyl}butanoic acid
(2s)-3-methyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
3-(3,5-dimethoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C15H19NO3 (261.13648639999997)
(1r,5r)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
C15H19NO3 (261.13648639999997)
(2s)-2-hydroxy-1-(7-hydroxy-1h-indol-3-yl)-5-methylhexan-3-one
C15H19NO3 (261.13648639999997)
4-isopropyl-1-isothiocyanato-1,6-dimethyl-3,7,8,8a-tetrahydro-2h-naphthalene
4-amino-1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalene-2,3,5-trione
C15H19NO3 (261.13648639999997)
5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
(2e,4e,6e)-n-(2-methylpropyl)-7-(thiophen-2-yl)hepta-2,4,6-trienimidic acid
2-methyl-3-[4-(4-methylidenecyclohexyl)-5-oxofuran-2-ylidene]propanimidic acid
C15H19NO3 (261.13648639999997)
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl benzoate
C15H19NO3 (261.13648639999997)
(2r)-2-{[(1s,2s)-1-carboxy-2-methylbutyl]amino}pentanedioic acid
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)butanenitrile
6-(furan-3-yl)-9-(hydroxymethyl)-2,6,7,8,9,9a-hexahydro-1h-quinolizine-3-carbaldehyde
C15H19NO3 (261.13648639999997)
(2e)-3-(3,5-dimethoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C15H19NO3 (261.13648639999997)
n-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl}methyl)ethanimidic acid
C14H19N3O2 (261.14771939999997)
(2e)-n-(2-phenylethyl)dec-2-en-4,6,8-triynimidic acid
(14r)-14-methyl-13-oxa-8-azatricyclo[6.5.3.0⁴,¹²]hexadeca-1,4(12)-diene-3,16-dione
C15H19NO3 (261.13648639999997)
3,4-dihydroxy-1-methyl-3-(3-methylbut-2-en-1-yl)-4h-quinolin-2-one
C15H19NO3 (261.13648639999997)
3-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)propan-1-one
C15H19NO3 (261.13648639999997)
1-(2h-1,3-benzodioxol-5-yl)-3-(piperidin-1-yl)propan-1-one
C15H19NO3 (261.13648639999997)
(6r,9s,9ar)-6-(furan-3-yl)-9-(hydroxymethyl)-2,6,7,8,9,9a-hexahydro-1h-quinolizine-3-carbaldehyde
C15H19NO3 (261.13648639999997)
1-isothiocyanato-4a-methyl-8-methylidene-2-(prop-1-en-2-yl)-octahydronaphthalene
(1s,15s)-15-methoxy-4-oxa-9-azatetracyclo[7.7.0.0¹,¹².0²,⁶]hexadeca-2(6),12-dien-3-one
C15H19NO3 (261.13648639999997)
2-methyl-3-[(2e)-4-(4-methylidenecyclohexyl)-5-oxofuran-2-ylidene]propanimidic acid
C15H19NO3 (261.13648639999997)
5,8a-dihydroxy-5,7,7-trimethyl-5ah,6h,8h-cyclopenta[g]isoquinolin-9-one
C15H19NO3 (261.13648639999997)
(3r,6r)-3-benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
C15H19NO3 (261.13648639999997)
3-benzyl-6-isopropyl-4-methylmorpholine-2,5-dione
C15H19NO3 (261.13648639999997)
