Exact Mass: 270.1314612
Exact Mass Matches: 270.1314612
Found 500 metabolites which its exact mass value is equals to given mass value 270.1314612,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tolbutamide
Tolbutamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It is structurally similar to acetohexamide, chlorpropamide and tolazamide and belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Tolbutamide appears to be metabolized in the liver. Tolbutamide and its metabolites are excreted in urine (75-85\\%) and feces. CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4157 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8370; ORIGINAL_PRECURSOR_SCAN_NO 8367 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8423; ORIGINAL_PRECURSOR_SCAN_NO 8420 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8415; ORIGINAL_PRECURSOR_SCAN_NO 8413 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4156 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4203; ORIGINAL_PRECURSOR_SCAN_NO 4202 ORIGINAL_ACQUISITION_NO 8354; CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8415; ORIGINAL_PRECURSOR_SCAN_NO 8412 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4133; ORIGINAL_PRECURSOR_SCAN_NO 4130 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8326; ORIGINAL_PRECURSOR_SCAN_NO 8324 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8354; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 693; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4157 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 V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CA - Tests for diabetes D007004 - Hypoglycemic Agents
Estrone
Estrone is a major mammalian estrogen. The conversion of the natural C19 steroids, testosterone and androstenedione into estrone is dependent on a complex key reaction catalyzed by the cytochrome P450 aromatase (EC 1.14.14.1, unspecific monooxygenase), which is expressed in many tissues of the adult human (e.g. ovary, fat tissue), but not in the liver. The ovaries after menopause continue to produce androstenedione and testosterone in significant amounts and these androgens are converted in fat, muscle, and skin into estrone. When women between the ages of 45 and 64 years have prophylactic oophorectomy (when hysterectomy is performed for benign disease to prevent the development of ovarian cancer), evidence suggests that oophorectomy increases the subsequent risk of coronary heart disease (CHD) and osteoporosis. Whereas 14,000 women die of ovarian cancer every year nearly 490,000 women die of heart disease and 48,000 women die within 1 year after hip fracture. Therefore, the decision to perform prophylactic oophorectomy should be approached with great caution for the majority of women who are at low risk of developing ovarian cancer. Steroid sulfatase (EC 3.1.6.2, STS) hydrolyzes steroid sulfates, such as estrone sulfate to estrone which can be converted to steroids with potent estrogenic properties, that is, estradiol; STS activity is much higher in breast tumors and high levels of STS mRNA expression in tumors are associated with a poor prognosis. The biological roles of estrogens in tumorigenesis are certainly different between the endometrium and breast, although both are considered "estrogen-dependent tissues". 17beta-hydroxysteroid dehydrogenases (EC 1.1.1.62, 17-HSDs) are enzymes involved in the formation of active sex steroids. estrone is interconverted by two enzymes 17-HSD types. Type 1 converts estrone to estradiol and Type 2 catalyzes the reverse reaction. (PMID: 17653961, 17513923, 17470679, 17464097). CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969 A trace constituent of plant tissues, e.g. seeds of date (Phoenix dactylifera) and pomegranate (Punica granatum). Estrone is found in many foods, some of which are cauliflower, sweet rowanberry, carrot, and coconut. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen CONFIDENCE standard compound; INTERNAL_ID 2391 COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2]. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
Dihydrodiethylstilbestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D000970 - Antineoplastic Agents
Trenbolone
A 3-oxo-Delta(4) steroid that is estra-4,9,11-triene carrying an oxo group at position 3 and a hydroxy group at position 17beta. It is a synthetic anabolic steroid used for muscle growth in livestock. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid CONFIDENCE standard compound; INTERNAL_ID 2824 CONFIDENCE standard compound; INTERNAL_ID 8746 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8822; ORIGINAL_PRECURSOR_SCAN_NO 8819 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8840 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8845; ORIGINAL_PRECURSOR_SCAN_NO 8842 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8823; ORIGINAL_PRECURSOR_SCAN_NO 8820 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8866; ORIGINAL_PRECURSOR_SCAN_NO 8863
10,11-Dihydroxycarbamazepine
C15H14N2O3 (270.10043740000003)
10,11-Dihydroxycarbamazepine, also called carbamazepine diol, is a metabolite of both carbamazepine and oxcarbazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. Oxcarbazepine is an anticonvulsant and mood-stabilizing drug, used primarily in the treatment of epilepsy. It is also used to treat anxiety and mood disorders, and benign motor tics. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 8581 CONFIDENCE standard compound; INTERNAL_ID 2668 CONFIDENCE standard compound; INTERNAL_ID 4109
Chloroprocaine
C13H19ClN2O2 (270.11349839999997)
Chloroprocaine hydrochloride is a local anesthetic given by injection during surgical procedures and labor and delivery. Chloroprocaine, like other local anesthetics, blocks the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse and by reducing the rate of rise of the action potential. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Hypoglycin B
Hypoglycin B is found in fruits. Hypoglycin B is a biologically active component of Blighia sapida (akee apple) Hypoglycin B is a naturally occurring organic compound in the species Blighia sapida. It is particularly concentrated in the fruit of the plant especially in the seeds. Hypoglycin B is toxic if ingested and is a causative agent of Jamaican Vomiting Sickness. It is an amino acid and chemically related to lysine Biologically active component of Blighia sapida (akee apple)
17beta-Dihydroequilin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-Dehydroestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Tetaine
A non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond.
hexestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4806; ORIGINAL_PRECURSOR_SCAN_NO 4804 C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4799; ORIGINAL_PRECURSOR_SCAN_NO 4795 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942
4-tert-Butylphenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Migration residue from food packaging. Migration residue from food packaging
N-Desmethylpromazine
N-Desmethylpromazine is only found in individuals that have used or taken Promazine. N-Desmethylpromazine is a metabolite of Promazine. N-desmethylpromazine belongs to the family of Phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
15-Octadecene-9,11,13-triynoic acid
15-Octadecene-9,11,13-triynoic acid is found in fruits. 15-Octadecene-9,11,13-triynoic acid is a major component of the lipids of Santalum acuminatum (quandong Major component of the lipids of Santalum acuminatum (quandong). 15-Octadecene-9,11,13-triynoic acid is found in fruits.
Fenethazine
Fenethazine (phenethazinum) is a first-generation phenothiazine H1-antihistamine.
(2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
Estra-1,3,5(10),7-tetraene-3,17alpha-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17alpha-Trenbolone
Ciproxifan
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
Morinidazole
C254 - Anti-Infective Agent > C258 - Antibiotic
1-Piperidineethanol, alpha-((2-nitro-1H-imidazol-1-yl)methyl)-, 1-oxide
1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents
voxtalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively. Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively.
9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
9,9-diapo-10,9-retro-carotene-9,9-dione is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 9,9-diapo-10,9-retro-carotene-9,9-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 9,9-diapo-10,9-retro-carotene-9,9-dione can be found in a number of food items such as pepper (c. annuum), green bell pepper, orange bell pepper, and red bell pepper, which makes 9,9-diapo-10,9-retro-carotene-9,9-dione a potential biomarker for the consumption of these food products.
Benzyl beta-D-glucopyranoside
A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a benzyloxy group.
Resveratrol trimethyl ether
Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1] Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1]
7-Methoxy-beta-Carboline 1-propionic acid
C15H14N2O3 (270.10043740000003)
4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
C15H14N2O3 (270.10043740000003)
Tetrahydromagnolol
Tetrahydromagnolol (Magnolignan), a main metabolite of Magnolol, is a potent and selective cannabinoid CB2 receptor agonist with an EC50 of 170 nM and a Ki of 416 nM. Tetrahydromagnolol possesses 20-fold more selective for CB2 receptor than CB1 receptor. Tetrahydromagnolol is also a weak GPR55 receptor antagonist[1]. Tetrahydromagnolol (Magnolignan), a main metabolite of Magnolol, is a potent and selective cannabinoid CB2 receptor agonist with an EC50 of 170 nM and a Ki of 416 nM. Tetrahydromagnolol possesses 20-fold more selective for CB2 receptor than CB1 receptor. Tetrahydromagnolol is also a weak GPR55 receptor antagonist[1].
3,4-Dihydro-5-methoxy-6-methyl-2-phenyl-2H-1-benzopyran-7-ol
2,3,7-trimethoxy-phenazine|2,3,7-Trimethoxyphenazin
C15H14N2O3 (270.10043740000003)
(2S)-4,7-dihydroxy-6,8-dimethylflavane|(2S)-7,4-dihydroxy-6,8-dimethylflavane
3,5-Dimethyl-4-(methoxymethyl)-9-methoxynaphtho[2,3-b]furan
(Z,Z)-8xi-acetoxy-5xi-hydroxydodeca-2,6-dienoic acid
4bbeta,7-Dihydroxy-1-methyl-8-methylene-1,3,4a(10a)-gibbatrien-10-one
3,8,N2,N2,N6-pentamethyl-3H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Epizoanthoxanthin B
(3R,4S)-3-(2-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-4-ol|conferol B
2-(3,4-dihydroxy-1-butylenyl)-5-(2,3,4-trihydroxybutyl)-pyrazine|tatarinine A
NG-061
C15H14N2O3 (270.10043740000003)
A quinone imine that is 1,4-benzoquinone imine substituted by a methoxy group at position 3 and a (phenylacetyl)nitrilo group attached to the nitrogen atom. Isolated from the fermentation broth of Penicillium minioluteum, it exhibits neurotrophic effect of NGF.
Di-Me ester-(E,E)-8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid
3beta-Hydroxy-5(10),6,8-oestratrien-17-on|3beta-hydroxy-5,7,9-estratriene-17-one|3beta-hydroxy-estra-5,7,9-trien-17-one|3beta-Hydroxy-oestra-5,7,9-trien-17-on
2-Methoxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol
(Z)-8-acetoxy-1,2-epoxy-9,14-pentadecadiene-4,6-diyne
12-hydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one|rossogumerin A
2(S)-3-hydroxy-1-(4-hydroxyphenyl)-5-phenyl-1-pentanone
(11S)-chloronootkaton-11-ol|(4R,4aS,6R)-6-[(2S)-1-chloro-2-hydroxypropan-2-yl]-4,4a,5,6,7,8-hexahydro-4,4a-dimethylnaphthalen-2(3H)-one
(2R,3S,4S,5R,6S)-2-hydroxymethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol|arbutine|hydroquinone beta-D-glucopyranoside
12-hydroxy-13-methyl-ent-podocarp-6,8,11,13-tetraen-3-one
7-methoxy-2,8-dimethyl-9,10-dihydrophenantherene-3,6-diol|neonthrene
(3S,4S)-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromene-4,10-diol|cichorin C
6-Acetyl-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran
Me ester-(all-E)-7,9,15-Heptadecatriene-11,13-diynoic acid
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Phenylhydrazide
COC1=CC=CC2=NC3=C(OC)C(OC)=CC=C3N=C21
C15H14N2O3 (270.10043740000003)
Di-Me ether-3,4,5-Trimethylnaphtho[2,3-b]furan-6,8-diol
7-methyl-1,3,4,5,6,9-hexahydro-azecino[4,5,6-cd]indole-4-carboxylic acid|Clavicipitsaeure
rel-(3aR,4R,5S,7aS)-2-acetyl-3a,4,5,6,7,7a-hexahydro-7a-hydroxy-1H-inden-5-yl acetate|rel-1-[(3aR,4R,5S,7aS)-5-(acetyloxy)-3a,4,5,6,7,7a-hexahydro-7a-hydroxy-3a,4-dimethyl-1H-inden-2-yl]ethanone
1-(7-hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
7-hydroxy-3-(4-methoxybenzyl)-chroman|7-hydroxy-3-(4-methoxybenzyl)chroman
2,5-Dihydroxy-3-isoprenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde|2,5-dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
10-Hydroxy-4,9-dimethyl-3,6-dodecadienedioic acid|3xi-Hydroxy-4xi,9-dimethyl-6E,9E-dodecadiendisaeure
(E)-3,5,4-Trimethoxystilbene
(E)-3,5,4-Trimethoxystilbene is a natural product found in Dalea versicolor, Streptomyces avermitilis, and other organisms with data available. Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1] Trans-Trimethoxyresveratrol is a derivative of Resveratrol (RSV),and it may be a more potent anti-inflammatory, antiangiogenic and vascular-disrupting agent when compared with resveratrol. In vitro: The in vitro study of resveratrol and trans-Trimethoxyresveratrol showed rather weak cytotoxic effects on three cancer cell lines (HepG2, MCF-7, and MDA-MB-231), which contradicted a previous study reporting that resveratrol inhibited MCF-7 cells with an IC50 of about 10 μM. This discrepancy might be explained by the fact that the measurements were made 24 h after drug treatment, whereas the measurements of the previous study were taken 6 days after. The fact that the cytotoxic effect of trans-Trimethoxyresveratrol was lower than that of resveratrol is surprising, because in many studies, trans-Trimethoxyresveratrol is the most active analogue of resveratrol , although resveratrol shows much stronger antioxidant effects than that of trans-Trimethoxyresveratrol.[1] In vivo: Zebrafish embryos offer great advantage over their adults as well as other in vivo models because of the external development and optical transparency during their first few days, making them invaluable in the inspection of developmental processes. These unique advantages can even be made more useful when specific cell types are labeled with fluorescent probes. Zebrafish embryo in vivo, suggests that trans-Trimethoxyresveratrol has both more potent antiangiogenic activity and more importantly, stronger specific cytotoxic effects on endothelial cells than does resveratrol.[1]
7-Methoxy-b-carboline-1-propionicacid
C15H14N2O3 (270.10043740000003)
7-Methoxy-beta-carboline-1-propionic acid is a natural product found in Eurycoma longifolia with data available.
10,11-trans-Dihydroxy-10,11-dihydrocarbamazepine
C15H14N2O3 (270.10043740000003)
A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide substituted by hydroxy groups at positions 10 and 11. It is a metabolite of the drug carbamazepine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 2039
Estrone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 1.174 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.175 Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2]. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione
6-(2,4-dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0⁷,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate
tolbutamide
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 V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CA - Tests for diabetes An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position. D007004 - Hypoglycemic Agents
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based on: CCMSLIB00000845774]
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione [IIN-based: Match]
2,2-Bis(4-hydroxyphenyl)-4-methylpentane
CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0⁷,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate_major
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0?,¹²]docosa-6,10,17,21-tetraene-11,22-dicarboxylate
Idebenone Metabolite (Benzenebutanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)
UV absorber NL 3
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
ST 18:4;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
tert-Butyl Methyl(2-(2,2,2-trifluoroacetamido)ethyl)carbamate
N,N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine
Benzyl 4-piperidinylcarbamate hydrochloride (1:1)
C13H19ClN2O2 (270.11349839999997)
Benzenamine,N,N-dimethyl-4-[2-(3-nitrophenyl)diazenyl]-
1H-Pyrazole, 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHANAMINE
2-AMINO-4-(4-ISOBUTYLPHENYL)-5-METHYLTHIOPHENE-3-CARBONITRILE
3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
(4-FLUORO-3-NITRO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
TERT-BUTYL N-[(4-CYCLOPROPYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-YL)METHYL]CARBOXYLATE
C11H18N4O2S (270.11504080000003)
N-CYCLOPROPYL-6-(PIPERIDIN-4-YLOXY)PYRIMIDIN-4-AMINE HYDROCHLORIDE
BENZYL PIPERIDIN-3-YLCARBAMATE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
(3-PYRROLIDINYLMETHYL)-CARBAMIC ACID BENZYL ESTER-HCL
C13H19ClN2O2 (270.11349839999997)
(2S,5S)-5-BENZYL-3-METHYL-2-(5-METHYL-2-FURYL)-4-IMIDAZOLIDINONE
(2S,4S,5R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole
2-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
Benzenepropanoic acid, .beta.-hydroxy-.beta.-phenyl-, ethyl ester
Ethyl 5-amino-4-cyano-1-(p-tolyl)-1H-pyrazole-3-carboxylate
Ethyl5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
(R)-1-Cbz-3-Aminomethylpyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
(R)-Benzyl 2-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(S)-1-Cbz-3-Aminomethylpyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
(S)-1-N-CBZ-2-METHYL-PIPERAZINE-HCl
C13H19ClN2O2 (270.11349839999997)
4-AMINO-1-BENZYLPIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
tert-butyl N-[2-amino-2-(2-chlorophenyl)ethyl]carbamate
C13H19ClN2O2 (270.11349839999997)
6,7-dimethoxy-1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
4-(2-Iso-Propylamino Acetyl)Methane Sulfonanilide HCl
3-HYDROXY-3-(4-METHOXY-PHENYL)-2-METHYL-1-PHENYL-PROPAN-1-ONE
Lidocaine hydrochloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D049990 - Membrane Transport Modulators Lidocaine hydrochloride (Lignocaine hydrochloride) inhibits sodium channels involving complex voltage and using dependence[1]. Lidocaine hydrochloride decreases growth, migration and invasion of gastric carcinoma cells via up-regulating miR-145 expression and further inactivation of MEK/ERK and NF-κB signaling pathways. Lidocaine hydrochloride is an amide derivative and a agent to treat ventricular arrhythmia and an effective tumor-inhibitor[2].
N-[2-AMINO-2-(3-CHLOROPHENYL)ETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
C13H19ClN2O2 (270.11349839999997)
BIS(3-CHLORO-1,2,4-THIADIAZOL-5-YLSULFINYL)METHANE
1-tert-butyl 2-Methyl 4-azidopyrrolidine-1,2-dicarboxylate
1,3-Bis((trimethylsilyl)ethynyl)benzene
C16H22Si2 (270.12599720000003)
3-(1H-Pyrazol-1-yl)benzeneboronic acid, pinacol ester
Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-[2-(furan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C16H19BO3 (270.14271740000004)
2-CYANO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-ACETAMIDE
(5-amino-1-phenyl-1H-pyrazol-3-yl)(piperidin-1-yl)methanone
1-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
tert-butyl 2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
tert-butyl N-[[2-(aminomethyl)-4-chlorophenyl]methyl]carbamate
C13H19ClN2O2 (270.11349839999997)
2-[3-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C16H19BO3 (270.14271740000004)
2-(3,4-difluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TERT-BUTYL 2-(HYDROXYMETHYL)-6,7-DIHYDROTHIAZOLO[4,5-C]PYRIDINE-5(4H)-CARBOXYLATE
[1,4-Bipiperidine]-3-methanol dihydrochloride
C11H24Cl2N2O (270.12655939999996)
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid,hydrochloride
C13H19ClN2O2 (270.11349839999997)
2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carbonitrile
3-(2,3-DIMETHYLPHENOXYMETHYL)-4-METHOXYBENZALDEHYDE
5-(TERT-BUTOXYCARBONYLAMINO-METHYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate
tert-butyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
2-[4-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C16H19BO3 (270.14271740000004)
1-(4-Hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
1-Tert-Butyl 3-Ethyl 4-Amino-5,6-Dihydropyridine-1,3(2H)-Dicarboxylate
tert-butyl N-[2-amino-2-(4-chlorophenyl)ethyl]carbamate
C13H19ClN2O2 (270.11349839999997)
1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
3-AMINO-1-BENZYLOXYCARBONYLPIPERIDINEHYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
R-1-CBZ-2-aminomethyl pyrrolidine-HCl
C13H19ClN2O2 (270.11349839999997)
R-2-(CBZ-AMINOMETHYL)PYRROLIDINE-HCl
C13H19ClN2O2 (270.11349839999997)
Phenol,4,4-[(1R,2R)-1,2-diethyl-1,2-ethanediyl]bis-, rel-
Tricyclo[3.3.1.13,7]decane-1-aceticacid, a-chloro-3,5,7-trimethyl-
(5-((TERT-BUTYLDIMETHYLSILYL)OXY)-2-FLUOROPHENYL)BORONIC ACID
C12H20BFO3Si (270.12587320000006)
(S)-Benzyl (pyrrolidin-2-ylmethyl)carbamate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(1-benzyltriazol-4-yl)methoxymethyl-trifluoroboranuide
3-(2,6-DIMETHYLPHENOXYMETHYL)-4-METHOXYBENZALDEHYDE
2-(DIETHOXYMETHYL)-5,6-DIFLUORO-1-METHYL-1H-BENZO[D]IMIDAZOLE
6-Hydroxynaphthalene-2-boronic acid pinacol ester
C16H19BO3 (270.14271740000004)
ethyl 3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylate
5-(ISOPROPYLSULFONYL)-2-TETRAHYDRO-1H-PYRROL-1-YLPYRIMIDIN-4-AMINE
C11H18N4O2S (270.11504080000003)
1,2-Diphenyltetramethyldisilane
C16H22Si2 (270.12599720000003)
2,2-Azobis(2-methylpropionamidine) dihydrochloride
D009676 - Noxae > D009153 - Mutagens D009676 - Noxae > D016877 - Oxidants
1,4-Bis[(trimethylsilyl)ethynyl]benzene
C16H22Si2 (270.12599720000003)
(6E,9E)-3-Hydroxy-4,9-dimethyl-6,9-dodecadiendeoic acid
(2R)-1-(2,4-Difluorophenyl)-2-(tetrahydro-2H-pyran-2-yloxy)-1-propanone
2-(2,6-difluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl-aMine hydrochloride
C13H19ClN2O2 (270.11349839999997)
[1-(4-Methoxy-benzyl)-piperidin-4-yl]-Methyl-aMine hydrochloride
[1-(4-Methoxy-benzyl)-piperidin-3-yl]-Methyl-aMine hydrochloride
piperazineacetic acid benzyl este
C13H19ClN2O2 (270.11349839999997)
2-(2-(DIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
4-AMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
C13H19ClN2O2 (270.11349839999997)
3-methyl-2-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-one
2-(4-(DIFLUOROMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
7-(Tert-Butoxycarbonyl)-1-Oxa-2,7-Diazaspiro[4.4]Non-2-Ene-3-Carboxylic Acid
TERT-BUTYL (3-(2-AMINOETHYL)-5-CHLOROPHENYL)CARBAMATE
C13H19ClN2O2 (270.11349839999997)
ETHYL 2-((3-AMINO-5-CHLOROPHENETHYL)(METHYL)AMINO)ACETATE
C13H19ClN2O2 (270.11349839999997)
3-(3-CARBOXY-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N,N-Dimethyl-2-(piperazin-1-yl)nicotinamide hydrochloride
2-(CBZ-AMINOMETHYL)PYRROLIDINE HYDROCHLORIDE
C13H19ClN2O2 (270.11349839999997)
3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester
(4-tert-butylphenyl)-(2,4-dihydroxyphenyl)methanone
(R)-Benzyl 3-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(R)-Benzyl 3-aminopiperidine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
(S)-Benzyl 3-methylpiperazine-1-carboxylate hydrochloride
C13H19ClN2O2 (270.11349839999997)
benzyl 3-(aminomethyl)pyrrolidine-1-carboxylate,hydrochloride
C13H19ClN2O2 (270.11349839999997)
benzyl N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate,hydrochloride
C13H19ClN2O2 (270.11349839999997)
Facinicline
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
4-(1H-Imidazol-4-YL)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1H-pyrazole
1-(4-Nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol
3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium
N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide
C13H19ClN2O2 (270.11349839999997)
6-Amino-4-(3-furanyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-Amino-4-(2-furanyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Disilane, 1,1,1,2-tetramethyl-2,2-diphenyl-
C16H22Si2 (270.12599720000003)
4-(Quinolin-3-Ylmethyl)piperidine-1-Carboxylic Acid
2-[(1S)-1-Benzyl-2-sulfanylethyl]-1H-imidazo[4,5-C]pyridin-5-ium
Voxtalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively. Voxtalisib (XL765) is a potent PI3K inhibitor, which has a similar activity toward class I PI3K (IC50s=39, 113, 9 and 43?nM for p110α, p110β, p110γ and p110δ, respectively), also inhibits DNA-PK (IC50=150?nM) and mTOR (IC50=157?nM). Voxtalisib (XL765) inhibits mTORC1 and mTORC2 with IC50s of 160 and 910 nM, respectively.
Phenol, 2,4-dimethoxy-5-[(1R)-1-phenyl-2-propenyl]-
(2S)-2-amino-5-[[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]amino]-5-oxopentanoic acid
methyl-1-(2,2-dimethylindan-1S-yl)-imidazole-5-carboxylate
R-(-)-methyl-1-(2,2-dimethylindan-1-yl)-imidazole-5-carboxylate
4-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-2-(methylamino)butanoic acid
(13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
4-{4-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(methylazaniumyl)butanoate
Conferol B
A member of the class of isoflavans that is isoflavan with a hydroxy group at position 4, a methyl group at position 7 and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay.
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
C16H15FN2O (270.11683519999997)
12-Imino-9-methyl-10,11-dioxatricyclo[5.3.2.0~1,6~]dodecane-7,8,8-tricarbonitrile
1-Butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-pyrimidinone
Ethyl 2-phenylethyl butylphosphonate
A phosphonic ester obtained by the esterification of both the hydroxy groups of butylphosphonic acid with ethanol and 2-phenylethanol respectively.
N-[4-(dimethylamino)phenyl]-3-(5-methyl-2-furyl)acrylamide
2-Amino-5,6-dimethoxy-1-spiro[cyclopentane-1,3-indene]carbonitrile
(2Z)-2-(3-aminoisoindol-1-ylidene)-2-cyano-N-(2-methoxyethyl)acetamide
4-acetyl-3,5-dimethyl-N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
(8R,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
6-(2,4-Dihydroxy-3,5-dimethylhexyl)-4-hydroxy-3-methylpyran-2-one
CHLOROPROCAINE
C13H19ClN2O2 (270.11349839999997)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Estra-1,3,5(10),6-tetraene-3,17-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Hypoglycine b
An L-glutamyl amino acid that is (2S,4S)-hypoglycin A in which the amino group has been acylated by the gamma-carboxy group of L-glutamic acid.
bacilysin zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of bacilysin; major species at pH 7.3.
Hypoglycin B
A diastereoisometic mixture containing (2S,4R)- and (2S,4S)-hypoglycin B. A metabolite of hypoglycin A found in unripe ackee fruit.
4-tert-Butylphenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Ciproxifan
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
estra-1,3,5(10),7-tetraene-3,17alpha-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2S,4R)-hypoglycin B
A 5-L-glutamyl amino acid resulting from the formal condensation of the amino group of (2S,4R)-hypoglycin A with the gamma-carboxy group of L-glutamic acid.
2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion
Conjugate base of 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine where both carboxy groups are anionic and both the primary and secondary amino groups are protonated; major species at pH 7.3.
7,8-didehydro-17beta-estradiol
A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17beta-estradiol.