Exact Mass: 324.13615200000004
Exact Mass Matches: 324.13615200000004
Found 500 metabolites which its exact mass value is equals to given mass value 324.13615200000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Corylifolinin
Isobavachalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4 and a prenyl group at position 3. It has a role as an antibacterial agent, a platelet aggregation inhibitor and a metabolite. It is a polyphenol and a member of chalcones. It is functionally related to a trans-chalcone. Isobavachalcone is a natural product found in Broussonetia papyrifera, Anthyllis hermanniae, and other organisms with data available. See also: Angelica keiskei top (part of). A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4 and a prenyl group at position 3. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1].
Glabranin
Glabranin is a dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. It has a role as a plant metabolite. It is a dihydroxyflavanone and a (2S)-flavan-4-one. It is functionally related to a pinocembrin. Glabranin is a natural product found in Sophora tomentosa, Annona squamosa, and other organisms with data available. A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. Saponin from licorice (Glycyrrhiza glabra). Glabranin B is found in tea and herbs and spices. Origin: Plant, Pyrans Glabranin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=41983-91-9 (retrieved 2024-07-09) (CAS RN: 41983-91-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Citalopram
Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety; Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). It is sold under the brand-names Celexa (U.S., Forest Laboratories, Inc.), Cipramil, Seropram (Europe and Australia) and Ciazil (Australia); A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety. Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety; Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). It is sold under the brand-names Celexa (U.S., Forest Laboratories, Inc.), Cipramil, Seropram (Europe and Australia) and Ciazil (Australia); A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
Furaltadone
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
Oxyphenbutazone
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 S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids 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 Oxyphenbutazone is a Phenylbutazone (HY-B0230) metabolite, with anti-inflammatory effect. Oxyphenbutazone is an orally active non-selective COX inhibitor. Oxyphenbutazone selectively kills non-replicating Mycobaterium tuberculosis[1][2].
Dolasetron
Dolasetron is an antinauseant and antiemetic agent indicated for the prevention of nausea and vomiting associated with moderately-emetogenic cancer chemotherapy and for the prevention of postoperative nausea and vomiting. Dolasetron is a highly specific and selective serotonin 5-HT3 receptor antagonist. This drug has not shown to have activity at other known serotonin receptors, and has low affinity for dopamine receptors. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
(R)-Glabridin
(R)-Glabridin is found in herbs and spices. (R)-Glabridin is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). (R)-Glabridin is found in tea and herbs and spices. C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2].
Phaseollidin
Phaseollidin is found in common bean. Phaseollidin is isolated from kidney bean Phaseolus vulgaris, mung bean Phaseolus aureus, rice bean Phaseolus calcaratus, papadi Dolichos biflorus, and hyacinth bean Lablab niger.
Acetohexamide
C15H20N2O4S (324.11437200000006)
Acetohexamide is only found in individuals that have used or taken this drug. It is a sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide. [PubChem]Sulfonylureas such as acetohexamide bind to an ATP-dependent K+ channel on the cell membrane of pancreatic beta cells. This inhibits a tonic, hyperpolarizing outflux of potassium, which causes the electric potential over the membrane to become more positive. This depolarization opens voltage-gated Ca2+ channels. The rise in intracellular calcium leads to increased fusion of insulin granulae with the cell membrane, and therefore increased secretion of (pro)insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
Phaseollinisoflavan
Phytoalexin from Phaseolus vulgaris (kidney bean), other Phaseolus subspecies and Glycyrrhiza glabra (licorice). Phaseollinisoflavan is found in many foods, some of which are green bean, yellow wax bean, herbs and spices, and common bean. Phaseollinisoflavan is found in common bean. Phytoalexin from Phaseolus vulgaris (kidney bean), other Phaseolus species and Glycyrrhiza glabra (licorice
N-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
C15H20N2O4S (324.11437200000006)
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
Mycocyclosin
An organic heterotetracyclic compound obtained via intramolecular oxidative aromatic coupling of cyclo(L-tyrosyl-L-tyrosyl). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
5-(galactosylhydroxy)-L-lysine
C12H24N2O8 (324.15325839999997)
Galactosylhydroxylysine is released during bone resorption and elevated in subjects with metabolic bone loss. Galactosylhydroxylysine is a sensitive and specific marker of bone resorption. (PMID 10222355).
dolasetron
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Chromanol 293B
C15H20N2O4S (324.11437200000006)
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
Bindarit
Bindarit has been used in trials studying the prevention and treatment of Coronary Restenosis and Diabetic Nephropathy. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
Escitalopram
Escitalopram is a furancarbonitrile that is one of the Serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Escitalopram (Cipralex) is a medication developed by the Danish pharmaceutical company Lundbeck, that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD. In the United States, the drug is marketed under the name Lexapro by Forest Laboratories, Inc; Escitalopram is a medication that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD; Discontinuation from antidepressants, especially abruptly, has been known to cause certain withdrawal symptoms. One possible discontinuation symptom from Escitalopram is a type of spontaneous nerve pulse known as paresthesia or electric shock sensations, described by some patients as a feeling of small electric shocks, which may be accompanied by dizziness. These pulses may be short in duration, only milliseconds long, may affect any region of the body, and recur up to several times a minute, throughout all waking hours. They can be increased by physical activity, but are not solely linked to muscular activity. Other discontinuation symptoms include extreme sensitivity to loud sounds and bright lights, chills, hot flushes, cold sweats, reddening of the face, abdominal pain, weight gain and extreme mental fatigue. A furancarbonitrile that is one of the Serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Escitalopram (Cipralex) is a medication developed by the Danish pharmaceutical company Lundbeck, that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD. In the United States, the drug is marketed under the name Lexapro by Forest Laboratories, Inc; Escitalopram is a medication that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD; Discontinuation from antidepressants, especially abruptly, has been known to cause certain withdrawal symptoms. One possible discontinuation symptom from Escitalopram is a type of spontaneous nerve pulse known as paresthesia or electric shock sensations, described by some patients as a feeling of small electric shocks, which may be accompanied by dizziness. These pulses may be short in duration, only milliseconds long, may affect any region of the body, and recur up to several times a minute, throughout all waking hours. They can be increased by physical activity, but are not solely linked to muscular activity. Other discontinuation symptoms include extreme sensitivity to loud sounds and bright lights, chills, hot flushes, cold sweats, reddening of the face, abdominal pain, weight gain and extreme mental fatigue. [HMDB] N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
Valaciclovir
Valaciclovir (INN) or valacyclovir (USAN) is an antiviral drug used in the management of herpes simplex and herpes zoster (shingles). It is a prodrug, being converted in vivo to aciclovir. It is marketed by GlaxoSmithKline under the trade name Valtrex or Zelitrex. [Wikipedia] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
(S)-5,7-Dihydroxy-6-prenylflavanone
(S)-5,7-Dihydroxy-6-prenylflavanone is found in herbs and spices. (S)-5,7-Dihydroxy-6-prenylflavanone is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). (S)-5,7-Dihydroxy-6-prenylflavanone is found in tea and herbs and spices.
(E)-2',4,4'-Trihydroxy-3-prenylchalcone
(E)-2,4,4-Trihydroxy-3-prenylchalcone is found in herbs and spices. (E)-2,4,4-Trihydroxy-3-prenylchalcone is a constituent of hairy root cultures of Glycyrrhiza glabra (licorice)
Monoacetoxyscirpenol
Monoacetoxyscirpenol is a mycotoxin from Fusarium roseum and Fusarium sulphureu D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Blumealactone C
Blumealactone C is found in tea. Blumealactone C is a constituent of Blumea balsamifera (sambong) Constituent of Blumea balsamifera (sambong). Blumealactone C is found in tea.
4-Acetoxyscirpene-3,15-diol
4-Acetoxyscirpene-3,15-diol is a mycotoxin from Fusarium roseum and Fusarium sulphureu D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Mycotoxin from Fusarium roseum and Fusarium sulphureum
Moracin I
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin I is found in mulberry and fruits. Moracin I is found in fruits. Moracin I is isolated from Morus alba (white mulberry) infected with Fusarium solani.
AF Toxin II
AF Toxin II is found in fruits. AF Toxin II is produced by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. Production by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. AF Toxin II is found in pomes and fruits.
6-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
3-Acetoxyscirpene-4,15-diol
3-Acetoxyscirpene-4,15-diol is a metabolite of Fusarium oxysporum. Mycotoxi
DHAP(10:0)
C13H25O7P (324.13378300000005)
DHAP(10:0) is the decanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by decanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts. [HMDB] DHAP(10:0) is the decanoyl derivative of Dihydroxyacetone phosphate. It is also known as an alkyl-DHAP. This compound is formed by decanoic acid reacting with DHAP. Alkyl-DHAPs are intermediates in the synthesis of ether phospholipids. The initial steps of ether phospholipid biosynthesis take place in peroxisomes. Alkyl-dihydroxyacetonephosphate synthase is the peroxisomal enzyme that actually introduces the ether linkage. Levels of Alkyl-DHAP have been found to be strongly reduced in human fibroblasts derived from Zellweger syndrome and rhizomelic chondrodysplasia punctata patients. Four other enzymes are known to be involved in the metabolism of acyl-DHAP and alkyl-DHAP. These include: acyl-DHAP/alkyl-DHAP oxidoreductase, DHAP acyltransferase, alkyl-DHAP phosphohydrolase, and a dinitrofluorobenzene-insensitive acyl-DHAP acylhydrolase. Dihydroxyacetone phosphate (DHAP) is a biochemical compound primarily involved in the glycolysis metabolic pathway. DHAP is also the product of the dehydrogenation of L-glycerol-3-phosphate which is part of the entry of glycerol (sourced from triglycerides) into the glycolytic pathway. Conversely, reduction of glycolysis-derived DHAP to L-glycerol-3-phosphate provides adipose cells with the activated glycerol backbone they require to synthesize new triglycerides. Both reactions are catalyzed by the enzyme glycerol 3-phosphate dehydrogenase with NAD+/NADH as cofactor. DHAP may be referred to as glycerone phosphate in older texts.
5-(Galactosylhydroxy)-L-Lysine
C12H24N2O8 (324.15325839999997)
3-Methylsulfonyl-4-piperidin-1-ylbenzoyl guanidine
C14H20N4O3S (324.12560500000006)
(2S,5R)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
C12H24N2O8 (324.15325839999997)
Component of collagen
4-Butyl-5-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-1H-pyrazol-3(2H)-one
(4-Acetamidophenyl) (2S)-2-acetamido-4-methylsulfanylbutanoate
C15H20N2O4S (324.11437200000006)
Bavachalcone
Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1].
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Bicisate
Bindarit
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
3-((4-(5-(Hydroxymethyl)-2-oxo-3-oxazolidinyl)phenoxy)methyl)benzonitrile
Difructose anhydride III
Ditazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
epsilon-Deoxy-fructosyl-lysine
C12H24N2O8 (324.15325839999997)
N-(N-Formyl-L-methionyl)-L-phenylalanine
C15H20N2O4S (324.11437200000006)
Furaltadone
galactosyl hydroxylysine
C12H24N2O8 (324.15325839999997)
1,2-Diphenyl-3,5-dioxo-4-(3-hydroxybutyl)pyrazolidine
Nitracrine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000970 - Antineoplastic Agents
D-Valacyclovir
O-Galactosyl-5-hydroxylysine
C12H24N2O8 (324.15325839999997)
Citalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent EAWAG_UCHEM_ID 2901; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 2901 CONFIDENCE standard compound; INTERNAL_ID 8590 D049990 - Membrane Transport Modulators
NCI60_008951
Bavachin
Bavachin is a natural product found in Broussonetia papyrifera, Cullen corylifolium, and other organisms with data available. Bavachin, a flavonoid first isolated from seeds of P. corylifolia, acts as a phytoestrogen that activates the estrogen receptors ERα and ERβ with EC50s of 320 and 680 nM, respectively. Bavachin, a flavonoid first isolated from seeds of P. corylifolia, acts as a phytoestrogen that activates the estrogen receptors ERα and ERβ with EC50s of 320 and 680 nM, respectively.
Glabridin
Glabridin is a member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2 and 4 and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. It has a role as an antiplasmodial drug. It derives from a hydride of a (R)-isoflavan. Glabridin is a natural product found in Ornithopus sativus, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2].
Bavachalcone
Bavachalcone is a member of chalcones. Bavachalcone is a natural product found in Broussonetia papyrifera, Cullen corylifolium, and Sophora prostrata with data available. Bavachalcone is a compound isolated from psoralen. It is widely used in traditional Chinese medicine and has antibiotic and anti-cancer activities. Bavachalcone is a compound isolated from psoralen. It is widely used in traditional Chinese medicine and has antibiotic and anti-cancer activities.
Isobavachin
Isobavachin is a member of flavanones. Isobavachin is a natural product found in Brosimum acutifolium, Erythrina sigmoidea, and other organisms with data available. Isobavachin, an antioxidant isaolated from Psoralea corylifolia with a prenyl group at position 8 of ring A, promotes neuronal differentiation and the potential role of its protein prenylation[1][2]. Isobavachin, an antioxidant isaolated from Psoralea corylifolia with a prenyl group at position 8 of ring A, promotes neuronal differentiation and the potential role of its protein prenylation[1][2].
Calocarpin
2,3,5,8,10-Pentahydroxy-3-methyl-6-methoxy-1,2,3,4,4a,9a-hexahydroanthracene-9(10H)-one
4alpha,10alpha-Hydroxy-8-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
Flemistrictin E
Flemistrictin F
6-Carboxy-5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene
1-(1,3-Benzodioxole-5-yl)-2,3-dimethyl-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthalene
14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
2-[[2-(3,5-dihydroxy-4-isopropyl-phenyl)-2-guanidino-acetyl]amino]acetic acid
3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A
Crotaramosmin
1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
4-Hydroxycordoin
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at position 4 and 2 and a (3-methylbut-2-en-1-yl)oxy group at position 4. It has been isolated from Lonchocarpus neuroscapha.
10,10-Dimethyl-10a-[2-(2-thienyl)vinyl]-3,4,10,10a-tetrahydropyrimido[1,2-a]indol-2(1H)-one
(1S,5R,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-4-oxo-2-cyclohexen-1-yl (2E)-2-methyl-2-butenoate
NPE_325.1547_12.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1101
[(1R,5S,6S)-5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate
1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one
3-Tigloyl,7-Ac-(3beta,5alpha)-3,5,7-Trihydroxy-p-menth-1-en-6-one|7-Acetoxy-5alpha-hydroxy-3beta-tigloyloxycarvotacetone
Me glycoside-4-O-alpha-L-Rhamnopyranosyl-L-rhamnose|Me glycoside-4-O-beta-L-Rhamnopyranosyl-L-rhamnose
1-O-beta-D-fructofuranosyl-2R,5R-dihydroxymethyl-3R,4R-dihydroxypyrrolidine
C12H24N2O8 (324.15325839999997)
dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
11alpha-hydroxycinnamosmolide|9alpha,11alpha-dihydroxy,6beta-acetyl-cinnamolide
8alpha,10beta-dihydroxy-11alpha-acetoxyslov-3-enolide
1,2-Dihydro,1-hydroxy-(8alpha,9beta)-form-1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one,
(E)-cinnamyl (E)-3,4-dimethoxycinnamate|(E)-cinnamyl (E)-O,O-dimethyl-caffeate|(E)-cinnamyl-(E)-O,O-dimethyl caffeate|cinnamyl 3,4-dimethoxycinnamate
(2E,8E)-2,8-Decadiene-4,6-diyne-1,10-diol 1-O-??-D-glucopyranoside|(2E,8E)-deca-2,8-diene-4,6-diyne-1,10-diol 1-O-beta-D-glucopyranoside
5-(E)-propenyl-2-(2,4,5-trimethoxyphenyl)benzofuran|6-Demethoxy,5-methoxy-5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran
15-O-acetyl-3-deoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
(1S,4S,5S,6S,7S,10R)-1,4-dihydroxy-15-acetoxyeudesm-11(13)-en-6,12-olide
O-beta-D-Xylopyranoside-(R)-5,6,7,8-Tetrahydro-6-hydroxy-2-naphthalenecarboxylic acid
1,1,10-Trimethyl-3-hydroxy-7-isopropylanthracene-2,5,6(1H)-trione
1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
2-(3,4-methylenedioxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran
2,3-dihydro-3,7-dihydroxy-6-(3-methyl-2-butenyl)-2-phenyl-4h -1-benzopyran-4-one
2-(3,4-Dimethoxyphenyl)-3-methyl-7-(2-propenyl)benzofuran-5-ol
3(R)-deca-4,6,8-triyne-1,3-diol 1-O-beta-D-glucopyranoside|bidensyneoside B
6-Methyl-2-oxo-tetrahydro-pyran-3-carbonsaeure-(N,N-diphenyl-hydrazid)|6-methyl-2-oxo-tetrahydro-pyran-3-carboxylic acid-(N,N-diphenyl-hydrazide)
2,2-Dimethyl-5-hydroxy-7-(2-phenylethyl)-2H-1-benzopyran-6-carboxylic acid
2-(4-hydroxy-3-methoxyphenyl)-1,3-propanediol triacetate
5H-benzo[g]-1,3-benzodioxolo[5,6,4]quinoline-6,7,7a,8-tetrahydro-7-nitroso-10-methoxy-(7aR)|N-nitrosoxylopine
Sanggenofuran B
Sanggenofuran B is a natural product found in Morus cathayana with data available.
3-Ethyl-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10,11-trione
2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-4-(3-methoxy-1oxobutyl)-2-methylfuran-3(2H)-one|huaspenone A
3beta-acetoxy-1beta,10alpha-epoxy-15-hydroxygermacra-4Z-en-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide C
3beta-acetoxy-1alpha,15-dihydroxygermacra-4Z,9Z-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide A
15-acetoxy-1beta,3beta-dihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide E
3beta-acetoxy-1beta,15-dihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide F
10-oxo-10-(2,3,5-trihydroxy-4-methylphenyl)decanoic acid
1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-5-hydroxy-4,6-heptadiene-3-one
(E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
5-Ethyl-7,12-ethano-6,5-(iminopropano)-6-hydroxy-2,3,4,5,6,7-hexahydro-1H-1-benzoazonine-13,17(7)-diene-2,16-dione
3alpha-acetoxy-1alpha,8beta-dihydroxyeudesm-7(11)-en-8,12-olide
3-O-trans-p-methoxycinnamoyl-alpha-L-rhamnopyranose
(?)-(2R,3R,5S,6S,7R,8S,11S)-8-acetoxy-3,4-dihydroxyguai-11-H-1(10)-en-6,12-olide|argyinolide F
(7S,11S)-(+)-12-acetoxysydonic acid|4-[(2S,6S)-7-acetoxy-2-hydroxy-6-methylheptan-2-yl]-3-hydroxybenzoic acid
6alpha-acetoxy-1beta,4alpha-dihydroxy-eudesm-11(13)-en-12,8alpha-olide
Me glycoside-3-O-alpha-L-Rhamnopyranosyl-L-rhamnose
3alpha-hydroxy-9(10->20)abeo-abieta-1,5,8,10(20),13-pentaene-7,11,12-trione
(5R,6R,7R,8S,10S,11S)-8-acetoxy-14,15-dihydroxyelema-1,3-dien-6,12-olide
1-acetoxy-6alpha,14-dihydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
Methyl (3S,5S)-5-Hydroxy-3-(beta-D-glucopyranosyloxy)hexanoate|Methyl-(3S,5S)-5-hydroxy-3-(??-D-glucopyranosyloxy) hexanoate
5alpha-hydroperoxy-9beta-acetoxyeudesm-4(15),11(13)-dien-12-oic acid
5-Methoxy-6-methoxy-7-(2,3-dihydroxy-3-methylbutoxy)coumarin
2-(2-Methoxy-4-methylphenyl)glycerol 1-isobutyrate 3-acetate
Bleitetraaethyl|Tetraaethyl-plumban|tetraethyl lead|tetraethyllead|tetraethyllead(IV)|tetraethylplumbane|tetraetyllead
3-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol triacetate
1-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethylnaphthalen-6-ol
1-Ac-1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide|1alpha-acetoxy-5beta,8alpha-dihydroxyeudesm-4(15)-en-6beta,11betaH-12,6-olide
6,9-dihydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydro-furo[3,2-c]isochromen-5-one|Hydroxymonocerin
(+-)-alpha-truxillic acid monoethyl ester|(+-)-alpha-Truxillsaeure-monoaethylester
licarinB
Licarin B is a natural product found in Magnolia kachirachirai, Licaria guianensis, and other organisms with data available. Licarin B, a nitric oxide production inhibitor extracted from the component of the seeds of Myristica fragrans, improves insulin sensitivity via PPARγ and activation of GLUT4 in the IRS-1/PI3K/AKT pathway[1][2][3]. Licarin B, a nitric oxide production inhibitor extracted from the component of the seeds of Myristica fragrans, improves insulin sensitivity via PPARγ and activation of GLUT4 in the IRS-1/PI3K/AKT pathway[1][2][3]. Licarin B, a nitric oxide production inhibitor extracted from the component of the seeds of Myristica fragrans, improves insulin sensitivity via PPARγ and activation of GLUT4 in the IRS-1/PI3K/AKT pathway[1][2][3]. Licarin B, a nitric oxide production inhibitor extracted from the component of the seeds of Myristica fragrans, improves insulin sensitivity via PPARγ and activation of GLUT4 in the IRS-1/PI3K/AKT pathway[1][2][3].
Citalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1513 CONFIDENCE standard compound; INTERNAL_ID 4118
Bindarit
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
(E)-1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one
Isobavachalcone
Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1].
C20H20O4_6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)
C20H20O4_1,3-Benzenediol, 4-[3,4,8,9-tetrahydro-8-(1-methylethenyl)-2H-furo[2,3-h]-1-benzopyran-3-yl]
C17H24O6_2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)
Escitalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
(E)-1-(2,4-dihydroxyphenyl)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one
4-(8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl)benzene-1,3-diol
CA5PE2C
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); The position of the carboxylic group was assigned arbitrarily; locations of branching points are undetermined; Digitised from figure: approximate intensities
acetohexamide
C15H20N2O4S (324.11437200000006)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4170; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4125; ORIGINAL_PRECURSOR_SCAN_NO 4121 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4143; ORIGINAL_PRECURSOR_SCAN_NO 4140 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4151; ORIGINAL_PRECURSOR_SCAN_NO 4150 ORIGINAL_PRECURSOR_SCAN_NO 4163; CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4165; ORIGINAL_PRECURSOR_SCAN_NO 4163 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8394; ORIGINAL_PRECURSOR_SCAN_NO 8389 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8413; ORIGINAL_PRECURSOR_SCAN_NO 8409 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8458; ORIGINAL_PRECURSOR_SCAN_NO 8454 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8489; ORIGINAL_PRECURSOR_SCAN_NO 8485 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8471; ORIGINAL_PRECURSOR_SCAN_NO 8468
[(1R,5S,6S)-5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate_major
4-(8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl)benzene-1,3-diol_major
Lexapro
Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
Decanoyl dhap
C13H25O7P (324.13378300000005)
AF Toxin II
3-Acetoxyscirpene-4,15-diol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Blumealactone C
4-Acetoxyscirpene-3,15-diol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Deacetylanguidin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
amphotalide
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
3-Ethyl-1,1,1,5,5,5-hexamethyl-3-trimethylsilanyloxy-trisiloxane
Glyoctamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
1,1,3-TRIMETHYL-3-PHENYLINDAN-4,5-DICARBOXYLIC ACID
2-Piperazinyl-4-amino-6,7-dimethoxyquinazoline hydrochloride
6-(3-Hydroxyprop-1-ynyl)-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
TERT-BUTYL SPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE HYDROCHLORIDE
1-(2-THIOPHEN-2-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
C12H28O6Si2 (324.14243480000005)
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)CYCLOPROPANESULFONAMIDE
C14H21BN2O4S (324.13150160000004)
Sumacetamol
C15H20N2O4S (324.11437200000006)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]benzamide
C18H21BN2O3 (324.1645146000001)
Methyl 2-O-acetyl-4,6-O-benzylidene-a-D-glucopyranoside
3-BIPHENYL-4-YL-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
L-Methionine,N-(N-formyl-L-phenylalanyl)- (9CI)
C15H20N2O4S (324.11437200000006)
(3AR,4R,5R,6AS)-4-((E)-3,3-DIFLUORO-4-PHENOXYBUT-1-EN-1-YL)-5-HYDROXYHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
4-CHLORO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-OL
1-Tridecanol, phosphate, sodium salt
C13H27Na2O4P (324.14422720000005)
ETHYL 1-BENZYL-4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
Ethyl 4-hydroxy-7-methyl-2-oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
N-PYRIDIN-4-YL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C18H21BN2O3 (324.1645146000001)
1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, METHYL ESTER
N-{4-[(1-Acetyl-4-piperidinyl)carbonyl]phenyl}methanesulfonamide
C15H20N2O4S (324.11437200000006)
4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID (3-METHOXY-PHENYL)-AMIDE
1,5-Diphenyl-3-(2-phenylvinyl)-4,5-dihydro-1H-pyrazole
Propylene glycol, fumaric acid, dicyclopentadiene polymer
1,3-Bis((3-methyl-2,5-dioxopyrrol-1-yl)methyl)benzol
N,N-dimethyl-1-(1,3,7,9-tetradeuteriophenothiazin-10-yl)propan-2-amine,hydrochloride
(2,4-Diphenyl-1-naphthyl)boronic acid
C22H17BO2 (324.13215319999995)
3-chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester
5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
C15H20N2O4S (324.11437200000006)
1-benzyloxy-3-propionyloxy-2-(propionyloxy)methoxypropane
N-Pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
C18H21BN2O3 (324.1645146000001)
Des(diethylaMinoethyl)-didesiodo-1-Methoxy AMiodarone
CARBINOL (HYDROXYL) TERMINATED POLYDIMETHYLSILOXANE
1H-BenziMidazole-7-carboxaMide, 2-[(2S)-2-Methyl-2-pyrrolidinyl]-, hydrochloride (1:2)
4,4-Difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene
2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate
((2S)-1-(-2-NITROVINYL)-2,3-DIPHENYLPYRROLIDIN-2-YL)METHANOL
4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
1,2,3,4-Butanetetrol,1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]-2-pyrazinyl]-, (1R,2S,3R)-
C12H24N2O8 (324.15325839999997)
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate
Diethyl 2,2-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)
1-Iodotetradecane
An organoiodine compound that is tetradecane substituted by an iodo group at position 1.
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
2-Amino-5-[(1-Methoxy-2-Methylindolizin-3-Yl)carbonyl]benzoic Acid
6-Hydroxy-3-methyl-8-(2-phenylethyl)-2,5-dihydro-1-benzoxepine-7-carboxylic acid
7-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
1-[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidine
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
5-[4-Tert-butylphenylsulfanyl]-2,4-quinazolinediamine
C18H20N4S (324.14086000000003)
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-isobutoxybenzenolate
(2S) N-Acetyl-L-alanyl-alphal-phenylalanyl-chloroethylketone
N-[(2R)-4-diazonio-3-oxoniumylidene-1-phenylbutan-2-yl]-1-phenylmethoxymethanimidate
C18H18N3O3+ (324.13480979999997)
Valacyclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Ditazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
phaseollidin
Phaseollidin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Phaseollidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phaseollidin can be found in a number of food items such as hyacinth bean, lima bean, yellow wax bean, and scarlet bean, which makes phaseollidin a potential biomarker for the consumption of these food products.
Stepharanine
A berberine alkaloid with formula C19H18NO4 that is isolated from several species of Stephania.
1,2,3,4-Tetrahydroquinoxalin-2,3-dione, 1-ribityl-6,7-dimethyl-
[11-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-10-yl] acetate
(2E)-4-{methyl[3-phenyl-3-(pyridin-2-yl)propyl]amino}-4-oxobut-2-enoic acid
2,9-Dihydroxy-3,10-Dimethoxy-5,6-Dihydroisoquino[3,2-A]isoquinolinium
(1r,4r,5s,6s,7r,10r,11s,12s)-1,7-Bis(Hydroxymethyl)-2,8,13,14-Tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-Tetrol
2-Deamino-2-hydroxy-6-dehydroparomamine(2+)
C12H24N2O8+2 (324.15325839999997)
3alpha-Acetoxy-7alpha,15-dihydroxy-12,13-epoxytrichothec-9-ene
(2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6-diamino-5-hydroxyhexanoate
C12H24N2O8 (324.15325839999997)
2,6-diamino-2-[3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoic acid
C12H24N2O8 (324.15325839999997)
N,N-((1Z,3Z)-1,4-bis(4-hydroxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
A natural product found particularly in Aspergillus fumigatus and Penicillium notatum.
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
8-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
6-Amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
N-(2-fluorophenyl)-2-[3-(1-oxopropyl)-1-indolyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
C17H16N4O3 (324.12223459999996)
Guignardone N
A meroterpenoid found in Guignardia and Fusarium species and shown to exhibit inhibitory activity against Candida albicans growth.
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
(-)-Phaseolin
A prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1H,7H-chromeno[6,5:4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans.
3-Methyl-N-[(E)-[4-[(4-methylpyridin-2-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
1-(2,6-diethylphenyl)-3-(1H-indazol-6-yl)thiourea
C18H20N4S (324.14086000000003)
1-Phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
1-Decanoyl-sn-glycero-3-phosphate(2-)
C13H25O7P-2 (324.13378300000005)
N-[2-(4-methylphenoxy)-1-oxoethyl]-2-benzofurancarbohydrazide
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(2-pyridinylmethyl)acetamide
4-Chloro-3-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]benzoic acid methyl ester
N-[5-[2-(4-morpholinyl)ethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
(4-Benzyl-piperazin-1-yl)-(4-nitro-benzylidene)-amine
N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamide
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
[4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)phenyl]-N-methylmethanaminium
(6E)-8-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2,6-dimethyloct-6-enoic acid
methyl N-(tert-butoxycarbonyl)-4-nitrophenylalaninate
methyl 8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-8-oxooctanoate
alpha-N-(9-beta-D-ribofuranosylpurin-6-yl)glycinamide
3,4,5-trihydroxy-6-[(E)-2-methyl-3-phenylprop-2-enoxy]oxane-2-carboxylic acid
3-(5-Hydroxy-2,2-dimethylchromen-6-yl)-1-(4-hydroxyphenyl)propan-1-one
3,4,5-trihydroxy-6-[(E)-4-phenylbut-3-en-2-yl]oxyoxane-2-carboxylic acid
5,6-dihydroxy-1-[(2S)-4-phenylbutan-2-yl]indole-7-carboxamide
(3S)-4alpha-Isopropyl-3alpha,5beta-dihydroxy-1-[(hydroxy)methyl]-1-cyclohexen-6-one 3-[(E)-2-methyl-2-butenoate]5-acetate
(Z)-1,2-Bis(fluorodimethylsilyl)-1,2-bis(trimethylsilyl)ethylene
G-29701
A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. 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 S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids 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 Oxyphenbutazone is a Phenylbutazone (HY-B0230) metabolite, with anti-inflammatory effect. Oxyphenbutazone is an orally active non-selective COX inhibitor. Oxyphenbutazone selectively kills non-replicating Mycobaterium tuberculosis[1][2].
Anzemet
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Tetraneurin E
A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively.
Levofuraltadona
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
Desacetylanguidine
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(2S)-6-amino-2-{N-hydroxy[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}hexanoic acid
C12H24N2O8 (324.15325839999997)
Nitracrine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000970 - Antineoplastic Agents
HMR1556
C15H20N2O4S (324.11437200000006)
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
[3-(decanoyloxy)-2-oxopropoxy]phosphonic acid
C13H25O7P (324.13378300000005)
(-)-Phaseollinisoflavan
A member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2H-3,6-bichromene substituted by two methyl groups at positions 2 and 2 and hydroxy groups at positions 5 and 7 respectively.
1-Decanoyl-sn-glycero-3-phosphate(2-)
C13H25O7P (324.13378300000005)
A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-capryl-sn-glycero-3-phosphate.
yanuthone I
A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-hydroxymethylcyclohex-2-en-1-one which is substituted at position 6 by a (2E)-7-carboxy-3-methyloct-2-en-1-yl group (the R,R,R stereoisomer).
SP-141
SP-141 is a specific inhibitor of MDM2. SP-141 promotes MDM2 auto-ubiquitination and degradation. SP-141 might be used for the research of pancreatic cancer and breast cancer cells[1].