Exact Mass: 218.1201
Exact Mass Matches: 218.1201
Found 500 metabolites which its exact mass value is equals to given mass value 218.1201,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Abrine
N(alpha)-methyl-L-tryptophan is a N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. It has a role as an Escherichia coli metabolite. It is a L-tryptophan derivative and a N-methyl-L-alpha-amino acid. It is a tautomer of a N(alpha)-methyl-L-tryptophan zwitterion. N-Methyltryptophan is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.216 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.210 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.211 L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin. L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin.
N-Acetylserotonin
N-Acetylserotonin (NAS), also known as normelatonin, is a naturally occurring chemical precursor and intermediate in the endogenous production of melatonin from serotonin. It also has biological activity in its own right, including acting as a melatonin receptor agonist, an agonist of the TrkB, and having antioxidant effects. N-Acetylserotonin is an intermediate in the metabolic pathway of melatonin and indoleamine in the pineal gland of mammalians. Serotonin-N-acetyltransferase (SNAT), which regulates the rate of melatonin biosynthesis in the pineal gland, catalyzes the acetylation of 5HT to N-acetylserotonin (NAS). A methyl group from S-adenosylmethionine is transferred to NAS by hydroxyindole-O-methyltransferase (HIOMT), and finally NAS is converted to 5-methoxy-N-acetyltryptamine, or melatonin. In most mammalian species the content of NAS (and melatonin) in the pineal gland shows clear circadian changes with the highest level occurring during the dark period. This elevation of the contents of NAS (and melatonin) in the dark period is due to the increase of SNAT activity and the elevation of SNAT gene expression. Experimental studies show that N-acetylserotonin possess free radical scavenging activity. Acute administration of irreversible and reversible selective MAO-A inhibitors and high doses (or chronic administration of low doses) of relatively selective MAO-B inhibitors (but not of highly selective MAO-B inhibitors) suppressed MAO-A activity and stimulated N-acetylation of pineal serotonin into N-acetylserotonin, the immediate precursor of melatonin. N-acetylserotonin increase after MAO-A inhibitors might mediate their antidepressive and antihypertensive effects. N-Acetylserotonin is the product of the O-demethylation of melatonin mediated by cytochrome P-450 isoforms: Cytochrome p450, subfamily IIc, polypeptide 19 (CYP2C19, a clinically important enzyme that metabolizes a wide variety of drugs), with a minor contribution from Cytochrome p450, subfamily I, polypeptide (2CYP1A2, involved in O-deethylation of phenacetin). (PMID 15616152, 11103901, 10721079, 10591054). N-Acetylserotonin acts as a potent antioxidant, NAS effectiveness as an anti-oxidant has been found to be different depending on the experimental model used, it has been described as being between 5 and 20 times more effect than melatonin at protecting against oxidant damage. NAS has been shown to protect against lipid peroxidation in microsomes and mitochondria. NAS has also been reported to lower resting levels of ROS in peripheral blood lymphocytes and to exhibit anti-oxidant effects against t-butylated hydroperoxide- and diamide-induced ROS. N-acetyl serotonin, also known as N-acetyl-5-hydroxytryptamine or N-(2-(5-hydroxy-1h-indol-3-yl)ethyl)acetamide, is a member of the class of compounds known as hydroxyindoles. Hydroxyindoles are organic compounds containing an indole moiety that carries a hydroxyl group. N-acetyl serotonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). N-acetyl serotonin can be found in a number of food items such as tronchuda cabbage, winter savory, rambutan, and poppy, which makes N-acetyl serotonin a potential biomarker for the consumption of these food products. N-acetyl serotonin can be found primarily in blood and urine, as well as in human kidney and liver tissues. In humans, N-acetyl serotonin is involved in the tryptophan metabolism. Moreover, N-acetyl serotonin is found to be associated with schizophrenia. N-Acetyl-5-hydroxytryptamine is a Melatonin precursor, and that it can potently activate TrkB receptor.
Primidone
An antiepileptic agent related to the barbiturates; it is partly metabolized to phenobarbital in the body and owes some of its actions to this metabolite. Adverse effects are reported to be more frequent than with phenobarbital. (From Martindale, The Extra Pharmacopoeia, 30th ed, p309) N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants EAWAG_UCHEM_ID 195; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 195 CONFIDENCE standard compound; INTERNAL_ID 4095 INTERNAL_ID 4095; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8502 CONFIDENCE standard compound; INTERNAL_ID 1516 KEIO_ID P061
5-Methoxydimethyltryptamine
5-Methoxydimethyltryptamine, like all methoxydimethyltryptamines is a compound that contain the biogenic monoamine tryptamine and is substituted with one methoxy group and two methyl groups. Members of this group include several potent serotonergic hallucinogens found in several unrelated plants, skins of certain toads, and in mammalian brains. They are possibly involved in the etiology of schizophrenia. They are formed as metabolites of serotonin (5-hydroxytryptamine) or tryptamine by the enzyme indolethylamine N-methyltransferase (INMT). The physiological significance of the N-methylating pathway of indoleamine metabolism, and of the methylated end products, is unknown. Because of the known psychotropic properties of the dimethylated amines, their possible involvement in the chemical pathogenesis of mental disorders has received wide interest. The hallucinogenic actions of the methylated indoleamines, like those of LSD, are believed to be mediated through the 5HT2 receptor. (PMID 11763413). 5-Methoxydimethyltryptamine, like all Methoxydimethyltryptamines is a compound that contain the biogenic monoamine tryptamine and is substituted with one methoxy group and two methyl groups. Members of this group include several potent serotonergic hallucinogens found in several unrelated plants, skins of certain toads, and in mammalian brains. They are possibly involved in the etiology of schizophrenia. (PubChem) C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist KEIO_ID M103; [MS2] KO009040 KEIO_ID M103
L-Lysopine
L-Lysopine is isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. Isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. N2-[(1R)-1-Carboxyethyl]-L-lysine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=34522-31-1 (retrieved 2024-08-20) (CAS RN: 34522-31-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
L-2-Methyltryptophan
An L-tryptophan derivative in which the hydrogen at position 2 on the indole ring is replaced by a methyl group.
THIOFANOX
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Mephenytoin
Mephenytoin is a hydantoin-derivative anticonvulsant used to control various partial seizures. It is generally reserved for treatment of individuals refractory to less toxic agents. Mephenytoin and oxazolidinedione derivatives are associated with higher incidences of blood dyscrasias compared to other anticonvulsants. As such, these agents should not be used concurrently. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Di-tert-butyl dicarbonate
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3156
Meprobamate
A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of anxiety disorders, and also for the short-term management of insomnia but has largely been superseded by the benzodiazepines. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603) Meprobamate is a controlled substance in the U.S. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BC - Carbamates D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3-Hydroxysebacic acid
3-Hydroxydecanedioic is a dicarboxylic acid that belongs to the class of compounds known hydroxy fatty acids. Hydroxy fatty acids are fatty acids that have hydroxyl functional groups attached to the principal chain. 3-Hydroxydecanedioic acid is found in most vertebrates. Urine from patients with ketoacidosis typically contains a number of aliphatic 3-hydroxy dicarboxylic acids, with the major compound being 3-hydroxydecanedioic acid (PMID: 7353273). The excretion of 3-hydroxydecanedioic acid is correlated with the excretion of hexanedioic acid, another metabolite frequently found in ketoacidosis (PMID: 5031780). It is thought that the 3-hydroxy dicarboxylic acids such as 3-hydroxydecanedioic acid are formed from fatty acids by a combination of omega-oxidation and incomplete beta-oxidation (PMID: 7353273). Marked elevation of urinary 3-hydroxydecanedioic acid has also been reported in a malnourished infant with glycogen storage disease (PMID: 8295400). Subsequent studies have shown that increased amounts of dicarboxylic acids, such as 3-hydroxydecanedioic acid, are typically excreted in human urine under conditions of medium-chain triglyceride (MCT) feeding, abnormal fatty acid oxidation (FAO) and fasting (PMID: 8596483). 3-Hydroxysebacic acid is a normal urinary 3-hydroxydicarboxylic acid metabolite and can be elevated in patients with peroxisomal disorders such as Zellweger syndrome. Marked elevation of urinary 3- Hydroxysebacic acid has also been described in a malnourished infant with glycogen storage disease, mimicking long-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (OMIM 300438, a defect in the beta-oxidation of fatty acids characterized by massive excretion of 3-hydroxydicarboxylic acids in the urine and accumulation of 3-hydroxy fatty acids in serum). (PMID 12860034, 14708889, 8295400) [HMDB]
(R)-Pterosin B
(S)-Pterosin B is found in green vegetables. (S)-Pterosin B is found as glycosides in the rhizomes of Pteridium aquilinum (bracken fern Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2]. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].
Isoleucyl-Serine
Isoleucyl-Serine is a dipeptide composed of isoleucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylleucine
Serylleucine is a dipeptide composed of serine and leucine. 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.
cis-3-Hexenyl phenylacetate
cis-3-Hexenyl phenylacetate is a flavouring ingredient. cis-3-Hexenyl phenylacetate is present in Mentha species. Flavouring ingredient. Present in Mentha subspecies
Cinnamyl isovalerate
Cinnamyl isovalerate is used in food flavouring. It is used in food flavouring
Valylthreonine
Valylthreonine is a dipeptide composed of valine and threonine. 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.
2-Hydroxydecanedioic acid
2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB] 2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344).
Leucyl-Serine
Leucyl-Serine is a dipeptide composed of leucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylisoleucine
Serylisoleucine is a dipeptide composed of serine and isoleucine. 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.
Threonylvaline
Threonylvaline is a dipeptide composed of threonine and valine. 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.
5-Hydroxysebacate
5-hydroxysebacate is a metabolite found in the urine of patients with peroxismal diseases.
Dimethylbenzyl carbinyl crotonate
Dimethylbenzyl carbinyl crotonate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Isoamyl cinnamate
Isoamyl cinnamate is a flavouring ingredient. Flavouring ingredient
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is found in herbs and spices. 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is a constituent of the oil of turmeric (Curcuma longa). Constituent of the oil of turmeric (Curcuma longa). 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is found in herbs and spices.
(S)-3-Mercaptohexyl pentanoate
(S)-3-Mercaptohexyl pentanoate is found in fruits. (S)-3-Mercaptohexyl pentanoate is a constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). Constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). (S)-3-Mercaptohexyl pentanoate is found in fruits.
(S)-3-Methylthiohexyl butyrate
(S)-3-Methylthiohexyl butyrate is found in fruits. (S)-3-Methylthiohexyl butyrate is a constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). Constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). (S)-3-Methylthiohexyl butyrate is found in fruits.
Pantothenamide
Pantothenamide is a dietary supplement as a source of pantothenic aci Dietary supplement as a source of pantothenic acid
N-despropyl ropinirole
N-despropyl ropinirole is a metabolite of ropinirole. Ropinirole (INN; trade names Requip, Ropark, Adartrel) is a non-ergoline dopamine agonist. It is manufactured by GlaxoSmithKline (GSK), Cipla and Sun Pharmaceutical. It is used in the treatment of Parkinsons disease. Ropinirole is one of three medications approved by the FDA to treat Restless Leg Syndrome, the other two being pramipexole (Mirapex) and gabapentin enacarbil (Horizant). The discovery of the drugs utility in RLS has been used as a successful example of drug repurposing. (Wikipedia)
(2R)-2-Amino-2-[[(1S)-1-carboxyethyl]amino]-4-methylpentanoic acid
3H-Pyrazol-3-one, 1,2-dihydro-4-(hydroxymethyl)-1,5-dimethyl-2-phenyl-
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
N-Formylcytisine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.387 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.383 (-)-N-Formylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Formylcytisine is a cytisine-type alkaloid from the stem bark of Maackia amurensis[1].
7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone
ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
4-Amino-2-(4-methylpiperazino)-5-pyrimidinecarbonitrile
(2E,9Z)-form-2,9-Tetradecadiene-4,6-diyne-1,14-diol,
(2Z,6S)-3-Chloromethyl-6-methoxyl-7-methylocta-2,7(10)-dien-1-ol|6-Me ether-3-Chloromethyl-7-methyl-2, 7-octadiene-1, 6-diol
(2Z,6S)-3-Chloromethyl-1-methoxyl-7-methylocta-2,7(10)-dien-6-ol
(2-(2)H2)(3aR,8aS)-1-acetyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-3a-ol
2-methoxy-4-((E)-3,3-dimethylpenta-1,4-dienyl)phenol|antidesmol
(6S)-4-hydroxy-14-norcadina-1,3,5-triene-9-one|oxyphyllone G
(4R,4aR)-6-acetyl-4,4a-dimethyl-4,4a,7,8-tetrahydronaphthalen-2(3H)-one|12-nornootkaton-6-en-11-one
(2E,10R*,10aS*)-2-ethylidine-2,3,10,10a-tetrahydro-10-hydroxy-1H,5H-dipyrrolo<1,2-c:21-f>pyrimidin-5-one|(2E,10R*,10aS*)-2-ethylidine-2,3,10,10a-tetrahydro-10-hydroxy-1H,5H-dipyrrolo[1,2-c:21-f]pyrimidin-5-one
(-)-tetradeca-4t,6t-diene-8,10-diyne-1,12-diol|(E,E)-form-4,6-Tetradecadiene-8,10-diyne-1,12-diol|Tetradeca-4,6-dien-8,10-diin-1,12-diol
9-(Tetrahydro-2H-pyran-2-yl)-8-nonene-4,6-diyn-3-ol,
Norpinguisone|norpinguisone methyl ester|Norsesquiterpen
1-Methyltryptophan
A tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole. 1-methyl-L-tryptophan is an indolyl carboxylic acid.
PterosinB
Pterosin B is a natural product found in Pteris bella, Pteris dactylina, and other organisms with data available. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2]. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].
L-beta-Homotryptophan
Acquisition and generation of the data is financially supported in part by CREST/JST.
meprobamate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BC - Carbamates D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
primidone
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
N-Acetylserotonin
An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. N-Acetyl-5-hydroxytryptamine is a Melatonin precursor, and that it can potently activate TrkB receptor.
3-Hydroxysebacic acid
An alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3.
1COOH-2But-A7-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
Pterosin B
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 33 INTERNAL_ID 33; CONFIDENCE Reference Standard (Level 1) Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2]. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].
2-((3-ethoxy-3-oxopropanoyl)oxy)-N,N,N-trimethylethan-1-aminium
MEPHENYTOIN
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one
2-(1,1,2,2,2-pentadeuterioethylamino)-1-phenylpropan-1-one,hydrochloride
3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene, ethenylacetate copolymer
CARBAMIC ACID, (2-CYANOPHENYL)-, 1,1-DIMETHYLETHYL ESTER
(1-Methyl-1H-benzoimidazol-2-yl)-acetic acid ethyl ester
3-METHOXY-4-(4-METHYL-IMIDAZOL-1-YL)-PHENYL]-METHANOL
acetic acid,N-[2-(hydroxyamino)-2-methylcyclohexylidene]hydroxylamine
3-(2-Amino-ethyl)-2-methyl-1H-indole-5-carboxylic acid
5-Methyltryptophan
A tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring.
METHYL 1-ISOPROPYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
METHYL 1-ETHYL-2-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE
Methyl 1-propyl-1H-benzo[d]imidazole-6-carboxylate
Methyl 1-isopropyl-1H-benzo[d]imidazole-6-carboxylate
(1R,5S)-3-BENZYL-6-NITRO-3-AZABICYCLO[3.1.0]HEXANE
2-PIPERIDINYL(1-PYRROLIDINYL)METHANONE HYDROCHLORIDE
3-PIPERIDIN-4-YL-1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE
methyl 2,3-o-isopropylidene-alpha-l-rhamnopyranose
1H-Benzimidazole-1-aceticacid,2-ethyl-alpha-methyl-(9CI)
4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile
1-Phenylcyclohexane-1-carboxylic acid methyl ester
Ethanone, 1-(2,8-diazaspiro[4.5]dec-8-yl)-, hydrochloride (1:1)
spiro[benzo[d][1,3]oxazine-4,4-piperidin]-2(1H)-one
4-AMINO-2-(4-METHYL-1-PIPERAZINYL)-5-PYRIMIDINECARBONITRILE
4-(2-Fluorophenyl)-1-Methylpiperidine-4-carbonitrile
4-(6-METHOXY-2-METHYLPYRIDIN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE
(1-(4-Methoxybenzyl)-1H-1,2,4-triazol-5-yl)methanamine
3-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-PROPIONIC ACID
3-[[(1,1-Dimethylethoxy)carbonyl]amino]-L-alanine methyl ester
(2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER
4-(4-methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one
4-(2-HYDROXYETHYL)-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE
3-(4-Morpholinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
(R)-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLICACIDTERT-BUTYLESTER
TERT-BUTYL 1H-PYRROLO[2,3-C]PYRIDINE-1-CARBOXYLATE
Ethanone,1-[3-(2-aminoethyl)-5-hydroxy-1H-indol-1-yl]-
Cyclohexanecarboxylic acid, 4-methyl-,phenyl ester
4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic Acid
1-(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
Indoximod
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
6-(3,4-Diaminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
Benzaldehyde, 4-(cyclopentyloxy)-2,3-dimethyl- (9CI)
2,3,4,5-TETRA-2-(PHENYLMETHYL)-3-PYRIDAZINE CARBOXYLIC ACID
2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(2-HYDROXYETHYL)-3-(1-METHYLETHENYL)-
N-[2-(2-Amino-benzoimidazol-1-yl)-ethyl]-acetamide
(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbonochloridate
piperidin-3-yl(pyrrolidin-1-yl)methanone,hydrochloride
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
(E)-N-Hydroxy-2,2-dimethyl-2H-chromene-6-carboxamidine
N-Boc-3-aminobenzonitrile tert-Butyl 3-cyanophenylcarbamate
([2-[(tert-Butoxycarbonyl)amino]ethyl]amino)acetic acid
Trientine hydrochloride
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D064449 - Sequestering Agents > D002614 - Chelating Agents
3-(5,6-DIMETHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
3-AMINO-2-(1H-INDOL-3-YL)-PROPIONIC ACID METHYL ESTER
Propanedioic acid,2-(ethoxymethyl)-, 1,3-diethyl ester
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
N(6)-(1-Carboxyethyl)-L-lysine
A L-lysine derivative formed during the reaction between methylglyoxal and protein. CEL is a homologue of N(epsilon)-(carboxymethyl)lysine (CML), an advanced glycation end-product that is formed on reaction of glyoxal or glycolaldehyde with protein and on oxidative cleavage of fructoselysine, the Amadori adduct formed on glycation of protein by glucose.
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
(2S)-3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate
(2S)-2-azaniumyl-3-(2-methyl-1H-indol-3-yl)propanoate
(2S)-6-azaniumyl-2-{[(1R)-1-carboxylatoethyl]azaniumyl}hexanoate
(2S)-2-azaniumyl-3-(1H-indol-3-yl)-2-methylpropanoate
(2S)-2-azaniumyl-3-(7-methyl-1H-indol-3-yl)propanoate
2-(Methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetic acid
(3-Carboxy-2-oxaldehydoyloxypropyl)-trimethylazanium
3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoate
Ethyl 2-(3-phenyl-2-propen-1-ylidene)hydrazinecarboxylate
[(2R)-3-carboxy-2-propanoyloxypropyl]-dimethyl-(trideuteriomethyl)azanium
2-((3-ethoxy-3-oxopropanoyl)oxy)-N,N,N-trimethylethan-1-aminium
Methyl 2,3-O-isopropylidene-alpha-L-rhamnopyranoside (2,2,2,3,3,3-D6)
Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside (3,3,3,4,4,4-D6)
2-(Benzyloxymethyl)-4-methylenetetrahydro-4H-pyran
(R)-pantothenate
A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.
pantothenate
A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group.
D-lysopine dizwitterion
A D-alpha-amino acid zwitterion that is D-lysopine arising from transfer of two protons from the carboxy to the amino groups; the major species at pH 7.3.
2-methyl-L-tryptophan zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-methyl-L-tryptophan; major species at pH 7.3.
N(alpha)-methyl-L-tryptophan zwitterion
An N-methyl-L-alpha-amino acid zwitterion derived from N(alpha)-methyl-L-tryptophan.
3-(chloromethyl)-6-methoxy-7-methylocta-2,7-dien-1-ol
(2s)-2-({[(2s)-2-hydroxyoxolan-2-yl]methoxy}methyl)oxolan-2-ol
(8s,8ar)-3-ethyl-8-hydroxy-6,8a-dimethyl-7,8-dihydroazulen-1-one
(1r,5s,7r)-6,6-dimethyl-2-oxotricyclo[5.3.1.0¹,⁵]undec-9-ene-10-carbaldehyde
(3as,6ar,9ar,9bs)-6,9-dimethylidene-octahydro-3h-azuleno[4,5-b]furan-2-one
(6r)-1,5,5-trimethylspiro[5.5]undeca-1,7-diene-3,9-dione
3,4,12-trimethyl-10,13-dioxatetracyclo[7.3.1.0¹,⁹.0³,⁷]trideca-5,7-diene
(2s)-2-amino-5-{[hydroxy(c-hydroxycarbonimidoylamino)methylidene]amino}pentanoic acid
5,6-diethenyl-6-methyl-3-methylidene-tetrahydro-3ah-1-benzofuran-2-one
(3ar,8ar)-1h,2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl acetate
1-acetyl-4,7-dimethyl-4,4a,5,6-tetrahydro-3h-naphthalen-2-one
5,7-dihydroxy[indan-1-spirocyclohexane]
{"Ingredient_id": "HBIN011309","Ingredient_name": "5,7-dihydroxy[indan-1-spirocyclohexane]","Alias": "NA","Ingredient_formula": "C14H18O2","Ingredient_Smile": "NA","Ingredient_weight": "218.295","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7714","PubChem_id": "NA","DrugBank_id": "NA"}
