Exact Mass: 302.1518012
Exact Mass Matches: 302.1518012
Found 500 metabolites which its exact mass value is equals to given mass value 302.1518012,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Methoxyestradiol
2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It is derived from estrogen, although it binds poorly to known estrogen receptors, and belongs to the family of drugs called angiogenesis inhibitors. It has undergone Phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. The CAS name for 2ME2 is (17 beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diol. It also acts as a vasodilator. [HMDB] 2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumours need in order to grow (angiogenesis). It is derived from estrogen, although it binds poorly to known estrogen receptors, and belongs to the family of drugs called angiogenesis inhibitors. It has undergone phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. 2ME2 also acts as a vasodilator. C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent 2-Methoxyestradiol (2-ME2), an orally active endogenous metabolite of 17β-estradiol (E2), is an apoptosis inducer and an angiogenesis inhibitor with potent antineoplastic activity. 2-Methoxyestradiol also destablize microtubules. 2-Methoxyestradio, also a potent superoxide dismutase (SOD) inhibitor and a ROS-generating agent, induces autophagy in the transformed cell line HEK293 and the cancer cell lines U87 and HeLa[1][2][3][4][5][6].
Cumyluron
Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Bioallethrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Masoprocol
Masoprocol is the meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. It has a role as an antineoplastic agent, a lipoxygenase inhibitor, a hypoglycemic agent and a metabolite. Masoprocol is a natural product found in Larrea divaricata, Schisandra chinensis, and Larrea tridentata with data available. Masoprocol is a naturally occurring antioxidant dicatechol originally derived from the creosote bush Larrea divaricatta with antipromoter, anti-inflammatory, and antineoplastic activities. Masoprocol directly inhibits activation of two receptor tyrosine kinases (RTKs), the insulin-like growth factor receptor (IGF-1R) and the c-erbB2/HER2/neu receptor, resulting in decreased proliferation of susceptible tumor cell populations. This agent may induce apoptosis in susceptible tumor cell populations as a result of disruption of the actin cytoskeleton in association with the activation of stress activated protein kinases (SAPKs). In addition, masoprocol inhibits arachidonic acid 5-lipoxygenase (5LOX), resulting in diminished synthesis of inflammatory mediators such as prostaglandins and leukotrienes. It may prevent leukocyte infiltration into tissues and the release of reactive oxygen species. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. Masoprocol, also known as actinex or meso-ndga, belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety. Symptoms of overdose or allergic reaction include bluish coloration of skin, dizziness, or feeling faint, wheezing or trouble in breathing. Masoprocol also inhibits prostaglandins but the significance of this action is not yet known. Masoprocol is a drug which is used for the treatment of actinic keratoses (precancerous skin growths that can become malignant if left untreated). It also serves as an antioxidant in fats and oils. Masoprocol is a potentially toxic compound. It is not known exactly how masoprocol works. Although the exact mechanism of action is not known, studies have shown that masoprocol is a potent 5-lipoxygenase inhibitor and has antiproliferative activity against keratinocytes in tissue culture, but the relationship between this activity and its effectiveness in actinic keratoses is unknown. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4658; ORIGINAL_PRECURSOR_SCAN_NO 4657 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4580; ORIGINAL_PRECURSOR_SCAN_NO 4576 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4548 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4643; ORIGINAL_PRECURSOR_SCAN_NO 4642 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4650 CONFIDENCE standard compound; INTERNAL_ID 611; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4591; ORIGINAL_PRECURSOR_SCAN_NO 4587 Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor.
Enterodiol
Enterodiol is one of the most important lignan-type phytoestrogens identified in serum, urine, bile and seminal fluids of humans and animals. Phytoestrogens are a diverse group of compounds found in many edible plants that have, as their common denominator, a phenolic group that they share with estrogenic steroids. This phenolic group appears to play an important role in determining the estrogenic agonist/antagonistic properties of these compounds. Phytoestrogens have been categorized according to their chemical structures as isoflavones, lignans and coumestans. Enterodiol is formed by bacteria in the intestinal tract from the plant lignans matairesinol and secoisolariciresinol, which exist in various whole-grain cereals (barley, rye and wheat), seeds, nuts, legumes and vegetables. (PMID: 12270221, J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Sep 25;777(1-2):289-309.) [HMDB]. Enterodiol is a biomarker for the consumption of soy beans and other soy products. Enterodiol is one of the most important lignan-type phytoestrogens identified in serum, urine, bile, and seminal fluids of humans and animals. Phytoestrogens are a diverse group of compounds found in many edible plants that have, as their common denominator, a phenolic group that they share with estrogenic steroids. This phenolic group appears to play an important role in determining the estrogenic agonist/antagonistic properties of these compounds. Phytoestrogens have been categorized according to their chemical structures as isoflavones, lignans, and coumestans. Enterodiol is formed by bacteria in the intestinal tract from the plant lignans matairesinol and secoisolariciresinol, which exist in various whole-grain cereals (barley, rye, and wheat), seeds, nuts, legumes, and vegetables (PMID: 12270221, J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Sep 25;777(1-2):289-309.). Enterodiol is a biomarker for the consumption of soy beans and other soy products. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
11beta-OHA4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2829 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
Testololactone
16a-Hydroxyandrost-4-ene-3,17-dione
16alpha-Hydroxyandrost-4-ene-3,17-dione is involved in androgen and estrogen metabolism. 16alpha-Hydroxyandrost-4-ene-3,17-dione is produced from dehydroepiandrosterone through the work of 2 enzymes, [E1.14.99.-] and 3beta-hydroxy-delta5-steroid dehydrogenase [EC:1.1.1.145]. [HMDB] 16alpha-Hydroxyandrost-4-ene-3,17-dione is involved in androgen and estrogen metabolism. 16alpha-Hydroxyandrost-4-ene-3,17-dione is produced from dehydroepiandrosterone through the work of 2 enzymes, [E1.14.99.-] and 3beta-hydroxy-delta5-steroid dehydrogenase [EC:1.1.1.145]. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Hydroxyandrost-4-ene-3,17-dione
19-hydroxyandrost-4-ene-3,17-dione, also known as 19-haed, belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 19-hydroxyandrost-4-ene-3,17-dione is considered to be a steroid lipid molecule. 19-hydroxyandrost-4-ene-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-hydroxyandrost-4-ene-3,17-dione can be found in a number of food items such as red huckleberry, chinese chestnut, mustard spinach, and komatsuna, which makes 19-hydroxyandrost-4-ene-3,17-dione a potential biomarker for the consumption of these food products. 19-hydroxyandrost-4-ene-3,17-dione can be found primarily in blood, as well as in human placenta and testes tissues. In humans, 19-hydroxyandrost-4-ene-3,17-dione is involved in a couple of metabolic pathways, which include androgen and estrogen metabolism and androstenedione metabolism. 19-hydroxyandrost-4-ene-3,17-dione is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. Moreover, 19-hydroxyandrost-4-ene-3,17-dione is found to be associated with cushings Syndrome. 19-Hydroxyandrost-4-ene-3,17-dione is a substrate for Corticotropin-lipotropin and Cytochrome P450 19A1. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Oxotestosterone
19-oxotestosterone, also known as 19-aldehyde-testosterone, belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. 19-oxotestosterone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-oxotestosterone can be found in a number of food items such as tree fern, italian sweet red pepper, anise, and atlantic herring, which makes 19-oxotestosterone a potential biomarker for the consumption of these food products. 19-oxotestosterone can be found primarily throughout most human tissues. In humans, 19-oxotestosterone is involved in the androgen and estrogen metabolism. 19-oxotestosterone is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. 19-Oxotestosterone is catalyzed by Aromatase (EC 1.14.14.1),also called estrogen synthetase (a cytochrome P450 enzyme which catalyzes the formation of aromatic C18 estrogens from C19 androgens; it is symbolized CYP19) into oestrogens via sequential oxidations at the 19-methyl group. Biosynthesis of estrogens from C19 steroids is catalyzed by aromatase and its tissue-specific expression is determined at least in part by alternative use of tissue-specific promoters, which give rise to transcripts with unique 5-prime noncoding termini.(OMIM 107910).
7a-Hydroxyandrost-4-ene-3,17-dione
7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. [HMDB] 7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Glycerol tributanoate
Flavouring agent. Glycerol tributanoate is found in many foods, some of which are durian, canola, conch, and italian sweet red pepper. C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer Glycerol tributanoate is a flavouring agent
3-Methoxy-17-epiestriol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03G - Gonadotropins and other ovulation stimulants > G03GB - Ovulation stimulants, synthetic 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 Same as: D04021
Nicofetamide
C20H18N2O (302.14190579999996)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AC - Synthetic antispasmodics, amides with tertiary amines
prosolanapyrone III
ST 19:3;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2815
11b-Hydroxyandrost-4-ene-3,17-dione
11beta-Hydroxyandrost-4-ene-3,17-dione is an intermediate in adrenosterone production. 11beta-Hydroxyandrost-4-ene-3,17-dione is produced from androst-4-ene-3,17-dione, a reaction catalyzed by the enzyme cytochrome P450 B [EC:1.14.15.4]. 11beta-Hydroxyandrost-4-ene-3,17-dione is then converted into adrenosterone by the enzyme 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146]. 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
Ginsenoyne H
Ginsenoyne H is found in tea. Ginsenoyne H is isolated from ginseng. Isolated from ginseng. Ginsenoyne H is found in tea.
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is found in root vegetables. (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is found in root vegetables.
Yucalexin B'11
Yucalexin B11 is found in root vegetables. Yucalexin B11 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin B11 is found in root vegetables.
Falcarindiol 3-acetate
Falcarindiol 3-acetate is found in root vegetables. Falcarindiol 3-acetate is a constituent of carrots Daucus carota. Constituent of carrots Daucus carota. Falcarindiol 3-acetate is found in root vegetables.
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices.
[8]-Dehydroshogaol
[8]-Dehydroshogaol is found in herbs and spices. [8]-Dehydroshogaol is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [8]-Dehydroshogaol is found in herbs and spices.
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables. 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables.
Acetylpanaxydol
Acetylpanaxydol is found in tea. Acetylpanaxydol is a constituent of Panax quinquefolium (American ginseng). Constituent of Panax quinquefolium (American ginseng). Acetylpanaxydol is found in tea.
Arginylglutamine
Arginylglutamine is a dipeptide composed of arginine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Verimol D
Verimol E is found in fruits. Verimol E is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol E is found in fruits.
Phenylalanylhistidine
Phenylalanylhistidine is a dipeptide composed of phenylalanine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Histidylphenylalanine
Histidylphenylalanine is a dipeptide composed of histidine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminylarginine
Glutaminylarginine is a dipeptide composed of glutamine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-Hydroxyestradiol-3-methyl ether
2-Hydroxyestradiol-3-methylether is a methoxylated derivative of 2-hydroxyestradiol. 2-hydroxy estrogen metabolites can be converted to anticarcinogenic methoxylated metabolites (2-methoxyestrone and 2-methoxyestradiol, 2-hydroxyestrone and 2-hydroxyestradiol 3-methyl ether) by catechol O-methyltransferase (PMID: 11172156). 2-hydroxyestradiol 3-methyl ether has been found in the urine of pregnant women (along with other 2-hydroxyestrogen ethers) although the amounts are generally small (less than 5 ug/24 hours). (PMID: 966757).
6-Ketoestriol
6-Ketoestriol is a normal human metabolite that is in elevated concentration in the urine of patients with prolactinoma. (PMID 9812172) [HMDB] 6-Ketoestriol is a normal human metabolite that is in elevated concentration in the urine of patients with prolactinoma. (PMID 9812172).
4-Methoxy-17beta-estradiol
4-Methoxy-17beta-estradiol, also known as 4-methoxyestradiol or 4-ME2, is a member of the class of compounds known as estrogens and derivatives. These compounds are steroids with a structure containing a 3-hydroxylated estrane. 4-Methoxy-17beta-estradiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-Methoxy-17beta-estradiol can be synthesized from 17beta-estradiol. 4-Methoxy-17beta-estradiol can also be synthesized into 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide). 2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Neuromedin B (1-3)
NMB acts by binding to its high affinity cell surface receptor, neuromedin B receptor (NMBR). This receptor is a G protein-coupled receptor with seven transmembrane spanning regions, hence the receptor is also denoted as a 7 transmembrane receptor (7-TMR). Upon binding several intracellular signaling pathways are triggered (see Figure 2). Neuromedin B (NMB) is a bombesin-related peptide in mammals. It was originally purified from pig spinal cord, and later shown to be present in human central nervous system and gastrointestinal tract. This structure shows the 1-3 fragment of neuromedin B. NMB acts by binding to its high affinity cell surface receptor, neuromedin B receptor (NMBR). This receptor is a G protein-coupled receptor with seven transmembrane spanning regions, hence the receptor is also denoted as a 7 transmembrane receptor (7-TMR). Upon binding several intracellular signaling pathways are triggered (see Figure 2).; Neuromedin B (NMB) is a bombesin-related peptide in mammals. It was originally purified from pig spinal cord, and later shown to be present in human central nervous system and gastrointestinal tract.
Arginyl-Gamma-glutamate
Arginyl-Gamma-glutamate is a dipeptide composed of arginine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Garcinia lactone dibutyl ester
Garcinia lactone dibutyl ester is found in fruits. Garcinia lactone dibutyl ester is a constituent of the fruit of Garcinia atroviridis (gelugor). Constituent of the fruit of Garcinia atroviridis (gelugor). Garcinia lactone dibutyl ester is found in fruits.
4-Androsten-4-ol-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(8R,9R,10S,11S,13R,14R)-11-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
11-Ketotestosterone
2-Methoxy-17alpha-estradiol
2,3-Bis(3-hydroxybenzyl)butane-1,4-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
(8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
4-Methoxy-17alpha-estradiol
7-Keto-dehydroepiandrosterone
DL-Valine-4-antipyrineamide
Emivirine
C17H22N2O3 (302.16303419999997)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
EPIMESTROL
(8R,9S,13S,14S,17S)-13-Methyl-3-methylperoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
(8S,9R,10R,13S,14S)-11-Hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
trichostatin A
C17H22N2O3 (302.16303419999997)
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide
C17H22N2O3 (302.16303419999997)
[4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid
2-(3,3-Dimethylallyl)-4-(1-angeloyloxyethyl)-anisole
4-Androsten-4-ol-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-[formyl(6-methoxyquinolin-8-yl)amino]pentanoic acid
(5R,10S)-12-Hydroxy-11-methoxy-13-methylpodocarpa-1,11,13-trien-3-one|Drypetenone C
3-[4-methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionic acid|3-[4-Methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenmethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionsaeure
1-Ac-(all-E)-2,9-Heptadecadiene-4,6-diyne-1,8-diol
3-isobutyrylamino-1-phenethyl-piperidine-2,6-dione
C17H22N2O3 (302.16303419999997)
(2alpha,3beta,5alpha)-2-(acetyloxy)-9-methoxy-5-(methoxycarbonyl)-2,3-dimethylheptano-5-lactone|rel-(2R,4R,5S)-2-(acetyloxy)tetrahydro-2-(1-methoxyethyl)-4,5-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester
2,2,7-Trimethyl-5-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid
2,3-Dihydro-2,2-dimethyl-6-acetyl-8-(1-hydroxy-3-methyl-2-butenyl)chromone
(-)-1,12-diacetoxy-tetradeca-4t,6t-diene-8,10-diyne|Di-Ac-4,6-Tetradecadiene-8,10-diyne-1,12-diol|Tetradeca-4,6-dien-8,10-diin-1,12-diol-diacetat
(1-Isomer,3-hydroxy-5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-(3-hydroxy-3-methyl-1E-butenyl)-benzofuran
2-(or 3)-Methylbutanoyl-6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran
14-hydroxy-13-methoxy-8,11,13-podocarpatriene-3,7-dione
(1aS*,1bS*,7aS*,8aS*)-4,5-dimethoxy-1a,7a-dimethyl-1,1a,1b,2,7,7a,8,8a-octahydrocyclopropa[3,4]cyclopenta[1,2-b]naphthalene-3,6-dione
6-acetyl-2,2-dimethyl-8-(3-hydroxy-3-methyl-1E-butenyl)-chromanone
(6aS*,10aS*)-5,6a,9,9-tetramethyl-3,4,6a,7,9,10a-hexahydrocyclopenta[d][8,10]dioxono[g]isochromen-1(6H)-one|applanatine D
2-(4-methyl-3-pentenyl)-7-hydroxy-2,5-dimethyl-2H-chromene-6-carboxylic acid|anthopogochromenic acid
3,5-dihydroxy-2,5-dimethoxy-2,6-dimethyl bibenzyl|stilbostemin Y
geranil-3(10)-en-9-carboxyl-beta-arabinopyranoside|geranilenyl carboxy arabinoside
6-sec-butyl-3-(4-hydroxy-benzoyl)-5-methoxy-1H-pyrazin-2-one|Septorin
cis,cis-4,5-didehydro-siphonochalynol|Dehydrosiphonochalynol|docosa-4c,19c-diene-2,9,11,13,21-pentayn-1-ol
5-Acetyl-2,3-dihydrobenzofuran 2-(2-methyleneethanol)alpha-methylbutyrate
pyxidatol A|rel-(1R,2R,2aS,3S,4R,4aS,7aR,7bR)-decahydro-3-(hydroxymethyl)-6,6,7b-trimethyl-2aH-cyclobut[e]indene-1,2,2a,3,4-pentol
3-[4-methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionic acid|3-[4-Methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenmethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionsaeure
5-Acetyl-2-(2-hydroxyisopropyl)-7-(3-methylbutenoyl)benzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-isovalerylbenzofuran
Di-Et ester-2,4,6,8,10,12-Tetradecahexaene-1,14-dioic,acid
(6E,12E)-tetradeca-6,12-diene-8,10-diyne-1,3-diol diacetate|(6E,12E)-tetradecadiene-8,10-diyne-1,3-diol diacetate|1,3-diacetoxy-tetradeca-6E,12E-diene-8,10-diyne|Di-Ac-6,12-Tetradecadiene-8,10-diyne-1,3-diol
1-[2,2-Dimethyl-5,7-dihydroxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-8-yl]ethanone
(+)-miliusane VIII|1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6,9-trione
(rel-2S,10aR)-2,8-dihydroxy-6-methylxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrp-1H-phenanthren-9-one
4-Dimethylamino-tritylamin|4-dimethylamino-tritylamine|alpha-Amino-4-dimethylamino-triphenylmethan
7-(E)-but-2-enyl-3,4-dihydro-6,8-dihydroxy-(3R)-pent-3-(E)-enylisochromen-1-one
3-hydroxy-5,2,4-trimethoxy-2-methyl bibenzyl|stilbostemin U
<1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethyl>-2-methylacrylat|[1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethyl]-2-methylacrylat
3,5-dihydroxy-2,4-dimethoxy-2,6-dimethyl bibenzyl|stilbostemin X
13-methoxy-8,12-podcarpadiene-2,11,14-trione|13-Methoxy-8,12-podocarpadiene-2,11,14-trione
6beta-propionyloxy-1(10)-dehydrofuroeremophil-9-one|6beta-propionyloxy-1,10-dehydrofuranoeremophil-9-one
Nordihydroguaiaretic_acid
Nordihydroguaiaretic acid is a tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. It has a role as an antioxidant, a plant metabolite, a ferroptosis inhibitor and a geroprotector. It is a member of catechols, a tetrol and a lignan. Nordihydroguaiaretic acid is a natural product found in Arabidopsis thaliana, Schisandra chinensis, and other organisms with data available. A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor.
Nordihydroguaiaretic Acid
A tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 1.073 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.074 Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor. Nordihydroguaiaretic acid is a 5-lipoxygenase (5LOX) (IC50=8 μM) and tyrosine kinase inhibitor.
4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
PRI_303.1340_15.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1612
C18H22O4_2-(5-Acetyl-2,3-dihydro-1-benzofuran-2-yl)-2-propen-1-yl 3-methylbutanoate
Enterodiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Annotation level-1
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl 3-methylbutanoate
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based on: CCMSLIB00000848599]
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based: Match]
butyrin
A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer
Ala Ala Ala Ala
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-
C17H22N2O3 (302.16303419999997)
Trichostatin A
C17H22N2O3 (302.16303419999997)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Trichostatin A (TSA) is a potent and specific inhibitor of HDAC class I/II, with an IC50 value of 1.8 nM for HDAC[1].
6-Ketoestriol
A 3-hydroxy steroid that is estriol carrying an oxo group at position 6.
α-hydroxy Farnesyl Phosphonic Acid
Arg-GLN
A dipeptide formed from L-arginyl and L-glutamine residues.
Phe-his
A dipeptide composed of L-phenylalanine and L-histidine joined by a peptide linkage.
ascr#3
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,8R)-8-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#2, ascr#4, and ascr#8 in male attraction.
oscr#3
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-9-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
Pyrimido[1,2-a]benzimidazol-4-amine, 2-methyl-N-[(4-methylphenyl)methyl]- (9CI)
tert-butyl 4-(1H-indazol-5-yl)piperazine-1-carboxylate
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
1-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4-piperidine]
C17H22N2O3 (302.16303419999997)
6,8-di(tert-butyl)-4-oxo-4h-chromene-2-carboxylic acid
Cyclizine Hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist 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
(3-Cyano-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
1-[2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
C14H17F3N2O2 (302.12420579999997)
2-({2,2-Bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane
TERT-BUTYL 2-((4R,6S)-6-(ACETOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
4-Methyl-2-oxo-2H-chromen-7-yl octanoate
4-Methylumbelliferyl octanoate is a octoate. 4-Methylumbelliferyl octanoate can be used as a s ubstrate of hog pancreatic lipase[1].
1-Benzyl-2-(difluoro(phenoxy)Methyl)-4,5-dihydro-1H-imidazole
C17H16F2N2O (302.12306299999995)
1,4-benzenediboronic acid bis(neopentyl glycol) ester
methanesulfonic acid,4-phenylmethoxycyclohexan-1-ol
C14H22O5S (302.11878820000004)
3-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-methyl-1h-indole
(S)-BENZYL 2-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
C17H22N2O3 (302.16303419999997)
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-T-BUTYLDIMETHYSILYLOXY-2-NAPHTHALENEBORONIC ACID
4,4,5,5-TETRAMETHYL-2-[2-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-[1,3,2]DIOXABOROLANE
C14H18BF3O3 (302.13010240000006)
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
Neticonazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
Benzyl 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
C17H22N2O3 (302.16303419999997)
pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanone
3-o-acetyl-1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
1-(4-AMINO-3-METHOXYPHENYL)-1-ETHANONE
C20H18N2O (302.14190579999996)
Desipramine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators D004791 - Enzyme Inhibitors
4,4,5,5-Tetramethyl-2-(3-methyl-5-(trifluoromethoxy)-phenyl)-1,3,2-dioxaborolane
C14H18BF3O3 (302.13010240000006)
4-(trifluoromethoxy)benzylboronic acid pinacol ester
C14H18BF3O3 (302.13010240000006)
2-(4-METHOXY-2-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C14H18BF3O3 (302.13010240000006)
2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone
(3aR,6S,6aR)-6-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)- 2,2-dimethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one (non-preferr ed name)
C14H26O5Si (302.15494259999997)
2-[1-(3-fluorophenyl)ethoxy]-6-piperazin-1-ylpyrazine
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl] acetate
(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-fluoro-, 1,1-dimethylethyl ester
1-decyl-3-methylimidazol-3-ium,bromide
C14H27BrN2 (302.13574819999997)
ethyl 2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
[R-(R*,S*)]-(-)-N-(1-PHENYLETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-AMINE DIHYDROCHLORIDE
C15H24Cl2N2 (302.13164439999997)
(4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-aceticacid,1,1-dimethylethylester
1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-[tris(1-methylethyl)silyl]-
TERT-BUTYL 4-(IMIDAZO[1,2-A]PYRIDIN-5-YL)PIPERAZINE-1-CARBOXYLATE
tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
Tandamine
C18H26N2S (302.18165960000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
Safinamide
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoic acid
C14H17F3N2O2 (302.12420579999997)
3-[(2S)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one
C17H22N2O3 (302.16303419999997)
tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
(+)-(3Ar,4R,5R,6as)-hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one
(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
C14H26O5Si (302.15494259999997)
8-benzyl-2,8-diazaspiro[4.5]decane
C15H24Cl2N2 (302.13164439999997)
tert-butyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
C14H17F3N2O2 (302.12420579999997)
Pyrimido[1,2-a]benzimidazol-4-amine, N-(4-ethylphenyl)-2-methyl- (9CI)
tert-Butyl 4-(1H-indazol-3-yl)piperazine-1-carboxylate
tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
(s)-1-[(r)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-piperazine
3-BENZYL-N-HYDROXY-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXIMIDAMIDE
aluminum di(sec-butoxide)acetoacetic ester chelate
C14H27AlO5 (302.16738019999997)
(3R,5R)-benzyl 3-amino-5-(trifluoromethyl)piperidine-1-carboxylate
C14H17F3N2O2 (302.12420579999997)
1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine monoacetate
tert-butyl (1r,3r)-1-(4-cyanophenyl)-3-hydroxy-3-MethylcyclobutylcarbaMate
C17H22N2O3 (302.16303419999997)
(2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone hydrochloride
2,2,2,2-[[(1S)-1-Methyl-1,2-ethanediyl]dinitrilo]tetrakisacetamide
(E)-ethyl 3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylate
(E)-Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylate
4,4,5,5-TETRAMETHYL-2-[3-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-[1,3,2]DIOXABOROLANE
C14H18BF3O3 (302.13010240000006)
(R)-Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
C17H22N2O3 (302.16303419999997)
Phenol,4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
N2-(1H-Indol-5-yl)-6-(pyridin-4-yl)pyrazine-2,3-diamine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
4-[(6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
C17H22N2O3 (302.16303419999997)
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-
N-(4-morpholinobutyl)benzofuran-2-carboxamide
C17H22N2O3 (302.16303419999997)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
(2E)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]non-2-enoic acid
4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-2H-chromen-2-one
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid
4-(dimethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone
C15H18N4OS (302.12012580000004)
2-[(E)-(4-methylpiperazino)methyleneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
N~2~,N~2~,N~4~,N~4~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
4-(4-Hydroxy-3-isopropylphenylthio)-2-isopropylphenol
N,N-Diphenylpyrazolo[1,5-A][1,3,5]triazine-2,4-diamine
4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium
Masoprocol
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3].
Emivirine
C17H22N2O3 (302.16303419999997)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Actinex
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3]. Masoprocol (meso-Nordihydroguaiaretic acid) is a potent and orally active lipoxygenase inhibitor. Masoprocol shows antihyperglycemic activity. Masoprocol decreases the glucose concentration and hepatic triglyceride in vivo. Masoprocol has the potential for the research of type II diabetes[1][2][3].
5-Hydroxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanamide
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid
4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol
7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide
C17H22N2O3 (302.16303419999997)
[3-carboxy-2-[(E)-6-carboxyhex-4-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
[3-carboxy-2-[(E)-6-carboxyhex-2-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
[3-carboxy-2-[(E)-3-carboxy-4-methylpent-2-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
C17H22N2O3 (302.16303419999997)
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
1-[4-(4-Aminophenyl)-2-thiazolyl]-4-piperidinecarboxamide
C15H18N4OS (302.12012580000004)
5-(3-indolylidene)-N-(1-methoxypropan-2-yl)-4H-1,3,4-thiadiazin-2-amine
C15H18N4OS (302.12012580000004)
5-(3,3-Dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide
6-(1,4,5,7-Tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline
(S,S,S)-nicotianamine monoanion
C12H20N3O6- (302.13520400000004)
The tricarboxylic acid monoanion that is the conjugate base of (S,S,S)-nicotianamine, resulting from deprotonation of the central carboxy group and zwitterion formation of the other two. One of two major microspecies at physiological pH.
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
C17H22N2O3 (302.16303419999997)
3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl ester
C17H22N2O3 (302.16303419999997)
2-[[2-(3-Methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester
(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
C15H18N4OS (302.12012580000004)
N-(7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl)propanamide
3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
C20H18N2O (302.14190579999996)
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide
5-(tert-butyl)-2-methyl-N-(4-nitrophenyl)-3-furamide
1-[2-[2-(2-Methoxy-6-prop-2-enylphenoxy)ethoxy]ethyl]imidazole
C17H22N2O3 (302.16303419999997)
(4Br,8aS)-3-hydroxy-4b,8,8-trimethyl-7-oxo-6,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid
4-(1-Hydroxy-3-phenylpropyl)-5-methoxy-2,6-dimethylbenzene-1,3-diol
6-de(cyclopropylamino)-6-(S-sec-butylamino)abacavir
4-methoxy-2-[2-[5-methoxy-2-(oxidoamino)phenyl]ethyl]-N-oxidoaniline
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl dihydrogen phosphate
(2S,10aS)-2-hydroxy-6,7-dimethoxy-1,1-dimethyl-2,9,10,10a-tetrahydrophenanthren-3-one
N-Acetylglycylglycylglycylglycine methyl ester
C11H18N4O6 (302.12262880000003)
3,4-Diethynyl-1,1-dimethyl-2,5-bis(trimethylsilyl)-1-silacyclopenta-2,5-diene
N-(1,2-Diphenylethyl)nicotinamide
C20H18N2O (302.14190579999996)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AC - Synthetic antispasmodics, amides with tertiary amines
2,3-Bis(3-hydroxybenzyl)butane-1,4-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
Phe-His zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-His. Major species at pH 7.3.
(2E,6E)-farnesyl monophosphate
A member of the class of farnesyl phosphates that is the monophosphatr derivative of (2E,6E)-farnesol
RO-3
RO-3 is a potent, CNS-penetrant, and orally active P2X3 and P2X2/3 antagonist with pIC50s of 5.9 and 7.0 for human homomultimeric P2X3 and heteromultimeric P2X2/3 receptors, respectively. RO-3 shows selectivity for P2X3 and P2X2/3 over all other functional homomultimeric P2X receptors (IC50 >10?μM at P2X1,2,4,5,7)[1].
Tripeptide-32
Tripeptide-32isa bioactive peptide with anti-aging effect and has been reported used as a cosmetic ingredient[1].