Exact Mass: 232.1
Exact Mass Matches: 232.1
Found 500 metabolites which its exact mass value is equals to given mass value 232.1,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Melatonin
Melatonin is a member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. It has a role as a hormone, an anticonvulsant, an immunological adjuvant, a radical scavenger, a central nervous system depressant, a human metabolite, a mouse metabolite and a geroprotector. It is a member of acetamides and a member of tryptamines. It is functionally related to a tryptamine. Melatonin is a biogenic amine that is found in animals, plants and microbes. Aaron B. Lerner of Yale University is credited for naming the hormone and for defining its chemical structure in 1958. In mammals, melatonin is produced by the pineal gland. The pineal gland is small endocrine gland, about the size of a rice grain and shaped like a pine cone (hence the name), that is located in the center of the brain (rostro-dorsal to the superior colliculus) but outside the blood-brain barrier. The secretion of melatonin increases in darkness and decreases during exposure to light, thereby regulating the circadian rhythms of several biological functions, including the sleep-wake cycle. In particular, melatonin regulates the sleep-wake cycle by chemically causing drowsiness and lowering the body temperature. Melatonin is also implicated in the regulation of mood, learning and memory, immune activity, dreaming, fertility and reproduction. Melatonin is also an effective antioxidant. Most of the actions of melatonin are mediated through the binding and activation of melatonin receptors. Individuals with autism spectrum disorders (ASD) may have lower than normal levels of melatonin. A 2008 study found that unaffected parents of individuals with ASD also have lower melatonin levels, and that the deficits were associated with low activity of the ASMT gene, which encodes the last enzyme of melatonin synthesis. Reduced melatonin production has also been proposed as a likely factor in the significantly higher cancer rates in night workers. Melatonin is a hormone produced by the pineal gland that has multiple effects including somnolence, and is believed to play a role in regulation of the sleep-wake cycle. Melatonin is available over-the-counter and is reported to have beneficial effects on wellbeing and sleep. Melatonin has not been implicated in causing serum enzyme elevations or clinically apparent liver injury. Melatonin is a natural product found in Mesocricetus auratus, Ophiopogon japonicus, and other organisms with data available. Therapeutic Melatonin is a therapeutic chemically synthesized form of the pineal indole melatonin with antioxidant properties. The pineal synthesis and secretion of melatonin, a serotonin-derived neurohormone, is dependent on beta-adrenergic receptor function. Melatonin is involved in numerous biological functions including circadian rhythm, sleep, the stress response, aging, and immunity. Melatonin is a hormone involved in sleep regulatory activity, and a tryptophan-derived neurotransmitter, which inhibits the synthesis and secretion of other neurotransmitters such as dopamine and GABA. Melatonin is synthesized from serotonin intermediate in the pineal gland and the retina where the enzyme 5-hydroxyindole-O-methyltransferase, that catalyzes the last step of synthesis, is found. This hormone binds to and activates melatonin receptors and is involved in regulating the sleep and wake cycles. In addition, melatonin possesses antioxidative and immunoregulatory properties via regulating other neurotransmitters. Melatonin is a biogenic amine that is found in animals, plants and microbes. Aaron B. Lerner of Yale University is credited for naming the hormone and for defining its chemical structure in 1958. In mammals, melatonin is produced by the pineal gland. The pineal gland is small endocrine gland, about the size of a rice grain and shaped like a pine cone (hence the name), that is l... Melatonin is a biogenic amine that is found in animals, plants and microbes. Aaron B. Lerner of Yale University is credited for naming the hormone and for defining its chemical structure in 1958. In mammals, melatonin is produced by the pineal gland. The pineal gland is small endocrine gland, about the size of a rice grain and shaped like a pine cone (hence the name), that is located in the center of the brain (rostro-dorsal to the superior colliculus) but outside the blood-brain barrier. The secretion of melatonin increases in darkness and decreases during exposure to light, thereby regulating the circadian rhythms of several biological functions, including the sleep-wake cycle. In particular, melatonin regulates the sleep-wake cycle by chemically causing drowsiness and. lowering the body temperature. Melatonin is also implicated in the regulation of mood,learning and memory, immune activity, dreaming, fertility and reproduction. Melatonin is also an effective antioxidant. Most of the actions of melatonin are mediated through the binding and activation of melatonin receptors. Individuals with autism spectrum disorders(ASD) may have lower than normal levels of melatonin. A 2008 study found that unaffected parents of individuals with ASD also have lower melatonin levels, and that the deficits. were associated with low activity of the ASMT gene, which encodes the last enzyme of melatonin synthesis. Reduced melatonin production has also been proposed as a likely factor in the significantly higher cancer rates in night workers. Melatonin, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. Melatonin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=73-31-4 (retrieved 2024-07-01) (CAS RN: 73-31-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Melatonin is a hormone made by the pineal gland that can activates melatonin receptor. Melatonin plays a role in sleep and possesses important antioxidative and anti-inflammatory properties[1][2][3]. Melatonin is a novel selective ATF-6 inhibitor and induces human hepatoma cell apoptosis through COX-2 downregulation[4]. Melatonin attenuates palmitic acid-induced (HY-N0830) mouse granulosa cells apoptosis via endoplasmic reticulum stress[5]. Melatonin is a hormone made by the pineal gland that can activates melatonin receptor. Melatonin plays a role in sleep and possesses important antioxidative and anti-inflammatory properties[1][2][3]. Melatonin is a novel selective ATF-6 inhibitor and induces human hepatoma cell apoptosis through COX-2 downregulation[4]. Melatonin attenuates palmitic acid-induced (HY-N0830) mouse granulosa cells apoptosis via endoplasmic reticulum stress[5].
Nalidixic Acid
Nalidixic Acid is only found in individuals that have used or taken this drug. It is a synthetic 1,8-naphthyridine antimicrobial agent with a limited bacteriocidal spectrum. It is an inhibitor of the A subunit of bacterial DNA gyrase. [PubChem]Evidence exists for Nalidixic acid that its active metabolite, hydroxynalidixic acid, binds strongly, but reversibly, to DNA, interfering with synthesis of RNA and, consequently, with protein synthesis. CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3554; ORIGINAL_PRECURSOR_SCAN_NO 3553 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7969; ORIGINAL_PRECURSOR_SCAN_NO 7967 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3567; ORIGINAL_PRECURSOR_SCAN_NO 3565 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8008 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7993; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7956 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8023 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8009 J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors 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 KEIO_ID N067; [MS2] KO009130 D004791 - Enzyme Inhibitors KEIO_ID N067 Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1]. Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1].
FLUOMETURON
CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8414; ORIGINAL_PRECURSOR_SCAN_NO 8413 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8483; ORIGINAL_PRECURSOR_SCAN_NO 8479 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8454; ORIGINAL_PRECURSOR_SCAN_NO 8453 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8416; ORIGINAL_PRECURSOR_SCAN_NO 8415 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8468; ORIGINAL_PRECURSOR_SCAN_NO 8466 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4167 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4190; ORIGINAL_PRECURSOR_SCAN_NO 4189 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8464; ORIGINAL_PRECURSOR_SCAN_NO 8462 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4199; ORIGINAL_PRECURSOR_SCAN_NO 4198 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4184; ORIGINAL_PRECURSOR_SCAN_NO 4183 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4155; ORIGINAL_PRECURSOR_SCAN_NO 4154 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3709
Phenobarbital
Phenobarbital is only found in individuals that have used or taken this drug. It is a barbituric acid derivative that acts as a nonselective central nervous system depressant.Phenobarbital acts on GABAA receptors, increasing synaptic inhibition. This has the effect of elevating seizure threshold and reducing the spread of seizure activity from a seizure focus. Phenobarbital may also inhibit calcium channels, resulting in a decrease in excitatory transmitter release. The sedative-hypnotic effects of phenobarbital are likely the result of its effect on the polysynaptic midbrain reticular formation, which controls CNS arousal. Phenobarbital appears as odorless white crystalline powder or colorless crystals. A saturated aqueous solution is acid to litmus (approximately pH 5). Slightly bitter taste. (NTP, 1992) Phenobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant, a sedative, an excitatory amino acid antagonist and a drug allergen. Phenobarbital is a DEA Schedule IV controlled substance. Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III. It is a Depressants substance. A barbituric acid derivative that acts as a nonselective central nervous system depressant. It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. Phenobarbital is a barbiturate that is widely used as a sedative and an antiseizure medication. Phenobarbital has been linked to rare instances of idiosyncratic liver injury that can be severe and even fatal. Phenobarbital is a long-acting barbituric acid derivative with antipsychotic property. Phenobarbital binds to and activates the gamma-aminobutyric acid (GABA)-A receptor, thereby mimicking the inhibitory actions of GABA in the brain. The activation effects of the phenobarbital-receptor-ionophore complex include increased frequency of chloride channel openings, membrane hyperpolarization and ultimately synaptic inhibition and decreased neuronal excitability. In addition, this agent inhibits glutamate induced depolarization. Phenobarbital is only found in individuals that have used or taken this drug. It is a barbituric acid derivative that acts as a nonselective central nervous system depressant. It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. [PubChem] Phenobarbital acts on GABAA receptors, increasing synaptic inhibition. This has the effect of elevating seizure threshold and reducing the spread of seizure activity from a seizure focus. Phenobarbital may also inhibit calcium channels, resulting in a decrease in excitatory transmitter release. The sedative-hypnotic effects of phenobarbital are likely the result of its effect on the polysynaptic midbrain reticular formation, which controls CNS arousal. A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.
N2-Succinyl-L-ornithine
N2-Succinyl-L-ornithine is a substrate for Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt). N2-Succinyl-L-ornithine is a substrate for Ornithine aminotransferase (mitochondrial). [HMDB]
Aminoglutethimide
An aromatase inhibitor that produces a state of medical adrenalectomy by blocking the production of adrenal steroids. It also blocks the conversion of androgens to estrogens. Aminoglutethimide has been used in the treatment of advanced breast and prostate cancer. It was formerly used for its weak anticonvulsant properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p454) CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3385; ORIGINAL_PRECURSOR_SCAN_NO 3383 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7125 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7145; ORIGINAL_PRECURSOR_SCAN_NO 7141 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3404; ORIGINAL_PRECURSOR_SCAN_NO 3402 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3400; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7086; ORIGINAL_PRECURSOR_SCAN_NO 7084 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7154; ORIGINAL_PRECURSOR_SCAN_NO 7153 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3387; ORIGINAL_PRECURSOR_SCAN_NO 3385 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3391; ORIGINAL_PRECURSOR_SCAN_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7094; ORIGINAL_PRECURSOR_SCAN_NO 7091 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3376; ORIGINAL_PRECURSOR_SCAN_NO 3375 CONFIDENCE standard compound; INTERNAL_ID 1173; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7142; ORIGINAL_PRECURSOR_SCAN_NO 7138 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000970 - Antineoplastic Agents
Cryptolepine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
4-(Glutamylamino) butanoate
4-(Glutamylamino) butanoate is a polyamine that is an intermediate in putrescine degradation II. Polyamines (the most common of which are putrescine , spermidine , and spermine ), a group of positively charged small molecules present in virtually all living organisms, have been implicated in many biological processes, including binding to nucleic acids, stabilizing membranes, and stimulating several enzymes. Although polyamines are clearly necessary for optimal cell growth, a surplus of polyamines can cause inhibition of growth and protein synthesis, and thus a balance is desired between the production and breakdown of polyamines. In putrescine degradation II, 4-(Glutamylamino) butanoate is a substrate for gamma-glutamyl-gamma-aminobutyrate hydrolase (puuD) and can be generated from the hydrolysis of gamma-glutamyl-gamma-aminobutyraldehyde. [HMDB] 4-(Glutamylamino) butanoate is a polyamine that is an intermediate in putrescine degradation II. Polyamines (the most common of which are putrescine , spermidine , and spermine ), a group of positively charged small molecules present in virtually all living organisms, have been implicated in many biological processes, including binding to nucleic acids, stabilizing membranes, and stimulating several enzymes. Although polyamines are clearly necessary for optimal cell growth, a surplus of polyamines can cause inhibition of growth and protein synthesis, and thus a balance is desired between the production and breakdown of polyamines. In putrescine degradation II, 4-(Glutamylamino) butanoate is a substrate for gamma-glutamyl-gamma-aminobutyrate hydrolase (puuD) and can be generated from the hydrolysis of gamma-glutamyl-gamma-aminobutyraldehyde.
1-Methoxypyrene
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate
CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3866; ORIGINAL_PRECURSOR_SCAN_NO 3864 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3825; ORIGINAL_PRECURSOR_SCAN_NO 3823 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3826; ORIGINAL_PRECURSOR_SCAN_NO 3824 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3853; ORIGINAL_PRECURSOR_SCAN_NO 3850 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3819; ORIGINAL_PRECURSOR_SCAN_NO 3818 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3819; ORIGINAL_PRECURSOR_SCAN_NO 3816 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7956 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7993; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8008 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8023 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8009
Marindinin
Marindinin is found in beverages. Marindinin is found in the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002 Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks. Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks.
3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Pterosin E
Constituent of Pteridium aquilinum (bracken fern) leaves. Pterosin E is found in green vegetables and root vegetables. Pterosin E is found in green vegetables. Pterosin E is a constituent of Pteridium aquilinum (bracken fern) leaves.
L-Acetopine
L-Acetopine is found in fats and oils. L-Acetopine is isolated from calluses of soybean plant and coHon (Gossypium hirsutum). Isolated from calluses of soybean plant and coHon (Gossypium hirsutum). L-Acetopine is found in fats and oils and pulses.
Valylaspartic acid
Valylaspartic acid is a dipeptide composed of valine 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.
Aspartyl-Valine
Aspartyl-Valine is a dipeptide composed of aspartate 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.
Hydroxyprolyl-Threonine
Hydroxyprolyl-Threonine is a dipeptide composed of hydroxyproline and threonine. 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.
Threonylhydroxyproline
Threonylhydroxyproline is a dipeptide composed of threonine and hydroxyproline. 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.
L-N-(3-Carboxypropyl)glutamine
L-N-(3-Carboxypropyl)glutamine is found in root vegetables. L-N-(3-Carboxypropyl)glutamine is a constituent of beet
Glycerol 1-propanoate diacetate
Glycerol 1-propanoate diacetate is classified as a Natural Food Constituent (code WA) in the DFC
Tetrahydrofurfuryl cinnamate
Tetrahydrofurfuryl cinnamate is a flavouring agent with sweet vinous odou Flavouring agent with sweet vinous odour
gamma-Glutamyl-2-aminobutyric acid
gamma-Glutamyl-2-aminobutyric acid, also known as gamma-Glu-Abu, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. gamma-Glutamyl-2-aminobutyric acid has been identified in blood (PMID: 28059425).
Indole-3-acetylglycine
Indole-3-acetylglycine also known as N-(3-indolylacetyl)glycine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha-amino acid which bears an acyl group at its terminal nitrogen atom. Indole-3-acetylglycine has been identified in urine (PMID: 31396400).
(2E)-2-[[(Z)-3-Phenylbut-2-enyl]hydrazinylidene]propanoic acid
Dazoxiben
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent D004791 - Enzyme Inhibitors
Mofebutazone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Marindinin
Dihydrokavain is a member of 2-pyranones and an aromatic ether. Dihydrokawain is a natural product found in Piper methysticum, Alnus sieboldiana, and other organisms with data available. See also: Piper methysticum root (part of). Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks. Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks.
2HP328XN7C
Fraxinellone is a member of 2-benzofurans. Fraxinellone is a natural product found in Raulinoa echinata, Melia azedarach, and other organisms with data available. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1].
N-acetylcytisine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.452 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.447
3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one
5-Methoxy-1-methylspiro[indoline-3,3-pyrrolidin]-2-one
Melatonin
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS ORIGINAL_PRECURSOR_SCAN_NO 3385; CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3387; ORIGINAL_PRECURSOR_SCAN_NO 3385 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3400; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3376; ORIGINAL_PRECURSOR_SCAN_NO 3375 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3184; ORIGINAL_PRECURSOR_SCAN_NO 3183 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3391; ORIGINAL_PRECURSOR_SCAN_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3198; ORIGINAL_PRECURSOR_SCAN_NO 3196 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7086; ORIGINAL_PRECURSOR_SCAN_NO 7084 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7064; ORIGINAL_PRECURSOR_SCAN_NO 7062 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7062; ORIGINAL_PRECURSOR_SCAN_NO 7059 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7093; ORIGINAL_PRECURSOR_SCAN_NO 7090 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7098; ORIGINAL_PRECURSOR_SCAN_NO 7096 CONFIDENCE standard compound; INTERNAL_ID 961; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7084; ORIGINAL_PRECURSOR_SCAN_NO 7082 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.685 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.686 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.679 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.682 Melatonin is a hormone made by the pineal gland that can activates melatonin receptor. Melatonin plays a role in sleep and possesses important antioxidative and anti-inflammatory properties[1][2][3]. Melatonin is a novel selective ATF-6 inhibitor and induces human hepatoma cell apoptosis through COX-2 downregulation[4]. Melatonin attenuates palmitic acid-induced (HY-N0830) mouse granulosa cells apoptosis via endoplasmic reticulum stress[5]. Melatonin is a hormone made by the pineal gland that can activates melatonin receptor. Melatonin plays a role in sleep and possesses important antioxidative and anti-inflammatory properties[1][2][3]. Melatonin is a novel selective ATF-6 inhibitor and induces human hepatoma cell apoptosis through COX-2 downregulation[4]. Melatonin attenuates palmitic acid-induced (HY-N0830) mouse granulosa cells apoptosis via endoplasmic reticulum stress[5].
1-Pyrenemethanol
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 11
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-beta-L-Pyranose-form-Me glycoside, 2,4-di-Ac
3-(isobutyryloxymethyl)-6-methylbenzofuran|O-(2-Methylpropanoyl)-6-Methyl-3-benzofuranmethanol
5-ethylidene-2-hydroxy-2-hydroxymethyl-3-methylhexane-dioic acid|isatinecic acid|Retronecinsaeure|Retronecinsaeure (14Cn)|Retronecinsaeure <14Cn>
Fraxinellone
Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1].
(6R,7R)-tetradeca-4E,12E-diene-6,7-diol-8,10-diyneal
Me glycoside,2,3-O-isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
1-(2-hydroxy-4-methoxy-5-methylphenyl)-2,4-E,E-hexadien-1-one|1-(2-hydroxy-4-methoxy-5-methylphenyl)-E,E-2,4-hexadien-1-one
(8alpha,10beta)-form-15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide
3-Hydroxy-5-methoxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
(2E,4E)-1-(2,6-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one
(-)-(3S)-7-hydroxy-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid|brunnein C
(2E)-3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]prop-2-enal|(S)-demethoxywutaiensal
(2E)-3-[(3R)-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-chromen-6-yl]prop-2-enal|(R)-wutaipyranol A
(-)-2,3-dihydro-7-hydroxy-6,8-dimethyl-2-[(E)-prop-1-enyl]-chroman-4-one
2-hydroxy-1-((S)-2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-yl)propan-1-one|phenostereum A
(E)-3-(2,2-dimethylchroman-6-yl)-2-propenoic acid|(E)-3-(2,2-dimethylchroman-6-yl)acrylic acid|3-[(2H)-2,2-dimethyl-3,4-dihydrobenzopyran-6-yl]-2E-propenoic acid|Drupacin|dupracine
di-(3-deoxy-D-glycero-pentulose) 1,2:2,1 dianhydride
4-Acetyl-2,3-dihydro-2-isopropenyl-5-methoxybenzofuran
3-acetoxy-7-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
4-oxo-5(6),11-eudesmadien-8,12-olide|noralantolactone
todralazine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4755; ORIGINAL_PRECURSOR_SCAN_NO 4753 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4752; ORIGINAL_PRECURSOR_SCAN_NO 4751 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4778 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4772; ORIGINAL_PRECURSOR_SCAN_NO 4769 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777
aminoglutethimide
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000970 - Antineoplastic Agents
Nalidixic acid
A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors 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 D004791 - Enzyme Inhibitors Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1]. Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1].
(2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
N-Cyclohexyl-2-benzothiazol-amine
CONFIDENCE standard compound; INTERNAL_ID 2879 CONFIDENCE standard compound; INTERNAL_ID 8847
Dihydrokavain
Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks. Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks.
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
phenobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D065693 - Cytochrome P-450 Enzyme Inducers > D065695 - Cytochrome P-450 CYP2B6 Inducers D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3-Dimethylaminoacetyl-5-methoxyindole
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Simple tryptamine alkaloids, Indole alkaloids
ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7969; ORIGINAL_PRECURSOR_SCAN_NO 7967
3,4,5,6-tetrahydro-6,6-dimethyl-spiro[isobenzofuran-1(3H),2-[2H]pyran]-3-one
Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-3-hydroxy-5-methoxy-
1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, ethyl ester
2-(2-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
ETHYL5-AMINO-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE
Ethyl 7-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxylate
FURAN-2-CARBOXYLIC ACID (4-AMINO-2-METHOXY-PHENYL)-AMIDE
1H-Indole,5,7-difluoro-2,3-dihydro-2-(3-pyridinyl)-(9CI)
ETHYL 2-METHYL-5-OXO-5,6-DIHYDRO[1,6]NAPHTHYRIDINE-3-CARBOXYLATE
5-(4-Methoxyphenyl)-2-Methylpyrazole-3-carboxylic acid
4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanoic acid(SALTDATA: FREE)
5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
ETHYL 2-(5-PHENYL-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
1H-Pyrazole-4-carboxylicacid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-
6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one
Cyclohexanecarboxylic acid, 4-oxo-, phenylmethyl ester
2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
(R)-6-Benzyloxymethyl-4-methyl-5,6-dihydro-pyran-2-one
3-(3,4-DIMETHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
(S)-2-[BENZYL-(3-CHLORO-2-HYDROXY-PROPYL)-AMINO]-N-(4-BENZYLOXY-PHENYL)-ACETAMIDE
5-(4-METHOXYPHENYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
5-(3-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester
methyl 3-[[(4R)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
Molinazone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid
tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate
2-(3-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-Benzoxepin-1,3-dione,4,5-dihydro-4,4,7,9-tetramethyl-
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
2-(4-METHOXY-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
3-ETHYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID METHYL ESTER
ethyl 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylate
3-(4-FLUOROBENZYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
4-OXO-1,2,3,3A,4,5-HEXAHYDRO-PYRROLO[1,2-A]QUINOXALINE-7-CARBOXYLIC ACID
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
ETHYL5-AMINO-1-(PYRIDIN-4-YL)-1H-PYRAZOLE-4-CARBOXYLATE
(4-(2-(1H-Imidazol-1-yl)ethoxy)phenyl)boronic acid
3-ACETYLAMINO-5-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
BENZENEACETIC ACID, 4-(CYCLOPROPYLCARBONYL)-A,A-DIMETHYL-
(E)-3-(2-Formylphenyl)-2-propenoic acid 1,1-dimethyl ethyl ester
Cyclohexane, 1-(bromomethyl)-4-(1,1-dimethylethyl)
(2-OXO-3-PYRIDIN-4-YL-PROPYL)-CARBAMICACIDTERT-BUTYLESTER
1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE
Carbamimidothioic acid, N,N-bis[(ethylamino)carbonyl]-, methyl ester
5-Methoxy-7-trifluoromethyl-1,2,3,4-tetrahydro-[2,6]naphthyridine
Boc-D-Asparagine
(R)-4-Amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid is an asparagine derivative[1].
methyl (5-hydroxy-1-phenyl-1H-pyrazol-3-yl)acetate
5-(4-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester
1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
1-(5,8-dimethoxy-3,4-dihydronaphthalen-2-yl)ethanone
(3-BENZO[1,3]DIOXOL-5-YLMETHYL-3H-IMIDAZOL-4-YL)-METHANOL
5-(2-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
(S)-1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLICACID
2-Naphthalenebutanoicacid, 5,6,7,8-tetrahydro-g-oxo-
2-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)acetic acid
1-(2-methylphenyl)-4-oxocyclohexane-1-carboxylic acid
Seletracetam
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C26170 - Protective Agent > C1509 - Neuroprotective Agent
Rezatomidine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Ethyl 8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
Ethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
Ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 4-oxo-, ethyl ester
2-Propenoic acid, 3-ethoxy-3-[(trimethylsilyl)oxy]-, ethyl ester
(S)-2-((S)-2-Amino-3-methylbutanamido)succinic acid
(2S,3R)-2-acetamido-5-(diaminomethylideneamino)-3-hydroxypentanoic acid
4-Amino-5-(4-aminobutanoyloxy)-5-oxopentanoic acid
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine
1-(3,4-Dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)ethanone
1-(3,4-Dihydroxyphenyl)-2-(4-methyl-1-pyrazolyl)ethanone
2-methyl-N-[(E)-(5-methylfuran-2-yl)methylidene]furan-3-carbohydrazide
(2S)-2-amino-5-[(2S)-2-aminobutanoyl]oxy-5-oxopentanoic acid
(2R,3R)-2-[(3S,6R)-3-Amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
(2S,3R)-2-amino-3-hydroxy-5-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-5-oxopentanoic acid
6,6-Dimethyl-3h-spiro[2-benzofuran-1,2-oxane]-3-one
Cryptolepine
An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
N-(indol-3-ylacetyl)glycine
An N-acylglycine in which the N-acyl group is specified as indol-3-ylacetyl.
geranyl phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of geranyl phosphate; major species at pH 7.3.
4-(L-gamma-glutamylamino)Butanoic acid
An N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of 4-aminobutanoic acid with the gamma-carbxy group of L-glutamic acid.
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
6,7-dihydroxy-7-(hydroxymethyl)-5-methoxy-hexahydrocyclopenta[c]pyran-3-one
(2s,3r,5z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
3-(penta-1,3-dien-1-yl)-3,4-dihydro-1h-2-benzopyran-4,8-diol
(2e,4e)-1-(2-hydroxy-4-methoxy-5-methylphenyl)hexa-2,4-dien-1-one
9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,5,6-triol
1-[(2r)-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(3r,3ar)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,7a-tetrahydro-2-benzofuran-1-one
(4s)-4-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]cyclohex-2-en-1-one
5,10-dimethyl-3-oxatetracyclo[7.4.0.0¹,¹⁰.0²,⁶]tridec-12-ene-4,11-dione
(3r,4e,6e,12e)-tetradeca-4,6,12-trien-8,10-diyne-1,3,14-triol
(3r)-3-hydroxy-7-methoxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one
1-[5-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-4-yl]ethanone
atractylentriol
{"Ingredient_id": "HBIN017289","Ingredient_name": "atractylentriol","Alias": "NA","Ingredient_formula": "C14H16O3","Ingredient_Smile": "C(CO)C(C=CC=CC#CC#CC=CCO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14416","TCMID_id": "1968","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
