Exact Mass: 312.2539
Exact Mass Matches: 312.2539
Found 500 metabolites which its exact mass value is equals to given mass value 312.2539,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Arachidate (20:0)
Arachidic acid, also known as icosanoic acid, is a saturated fatty acid with a 20-carbon chain. It is a minor constituent of butter, perilla oil, peanut oil, corn oil, and cocoa butter. It also constitutes 7.08\\\\% of the fats from the fruit of the durian species Durio graveolens. The salts and esters of arachidic acid are known as arachidates. Its name derives from the Latin arachis that means peanut. It can be formed by the hydrogenation of arachidonic acid. The reduction of arachidic acid yields arachidyl alcohol. Arachidic acid is used for the production of detergents, photographic materials and lubricants. Arachidic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Arachidic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Arachidonic acid (Icosanoic acid), a long-chain fatty acid, is present in all mammalian cells, typically esterified to membrane phospholipids, and is one of the most abundant polyunsaturated fatty acids present in human tissue[1][2]. Arachidonic acid (Icosanoic acid), a long-chain fatty acid, is present in all mammalian cells, typically esterified to membrane phospholipids, and is one of the most abundant polyunsaturated fatty acids present in human tissue[1][2].
Levonorgestrel
A synthetic progestational hormone with actions similar to those of progesterone and about twice as potent as its racemic or (+-)-isomer (norgestrel). It is used for contraception, control of menstrual disorders, and treatment of endometriosis. It is usually supplied in a racemic mixture (Norgestrel, 6533-00-2). Only the levonorgestrel isomer is active. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AD - Emergency contraceptives G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
13-L-Hydroperoxylinoleic acid
(9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate, also known as 13s-hydroperoxy-9z,11e-octadecadienoic acid or 13(S)-hpode, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate is considered to be an octadecanoid lipid molecule (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate can be synthesized from octadeca-9,11-dienoic acid (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate can also be synthesized into pinellic acid and 13(S)-HPODE methyl ester (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate can be found in a number of food items such as lingonberry, lemon thyme, watermelon, and agave, which makes (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate a potential biomarker for the consumption of these food products (9z,11e)-(13s)-13-hydroperoxyoctadeca-9,11-dienoate can be found primarily in blood. 13-L-Hydroperoxylinoleic acid (13(S)-HPODE) is one of the primary products of the major polyunsaturated fatty acids (linoleic acid and arachidonic acid) from the 15-lipoxygenase pathway (EC 1.13.11.31). 13(S)-HPODE is a rather unstable metabolite and is rapidly metabolized to more stable secondary products such as diverse forms of hydroxy fatty acids (via reduction of the hydroperoxy group), alkoxy radicals (via homolytic cleavage of the peroxy group), forms of dihydro(pero)xy fatty acids (via lipoxygenase-catalysed double and triple oxygenation), or epoxy leukotrienes (via a hydrogen abstraction from a doubly allylic methylene group and a homolytic cleavage of the hydroperoxy group) (PMID: 9082450). D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
9(S)-HPODE
9(S)-HPODE is an intermediate in Linoleic acid metabolism(KEGG ID C14827). It is the second to last step in the synthesis of 9-oxoODE, and is converted from linoleate via the enzyme arachidonate 5-lipoxygenase [EC:1.13.11.34]. It is then converted to 9(S)-HODE. D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
Phytanate
Phytanic acid (or 3,7,11,15-tetramethylhexadecanoic acid) is a 20-carbon branched-chain fatty acid that humans can obtain through the consumption of dairy products, ruminant animal fats, and certain fish. It is primarily formed by bacterial degradation of chlorophyll in the intestinal tract of ruminants. Unlike most fatty acids, phytanic acid cannot be metabolized by beta-oxidation (because of a methyl group in the beta position). Instead, it undergoes alpha-oxidation in the peroxisome, where it is converted into pristanic acid by the removal of one carbon. Pristanic acid can undergo several rounds of beta-oxidation in the peroxisome to form medium-chain fatty acids that can be converted into carbon dioxide and water in mitochondria. Refsum disease, an autosomal recessive neurological disorder caused by mutations in the PHYH gene, is characterized by having impaired alpha-oxidation activity. Individuals with Refsum disease accumulate large stores of phytanic acid in their blood and tissues. This frequently leads to peripheral polyneuropathy, cerebellar ataxia, retinitis pigmentosa, anosmia, and hearing loss. Therefore, chronically high levels of phytanic acid can be neurotoxic. Phytanic acids neurotoxicity appears to lie in its ability to initiate astrocyte/neural cell death by activating the mitochondrial route of apoptosis. In particular, phytanic acid can induce the substantial generation of reactive oxygen species in isolated mitochondria as well as in intact cells. It also induces the release of cytochrome c from mitochondria. A 20-carbon branched chain fatty acid, Phytanic acid is present in animal (primarily herbivores or omnivores) tissues where it may be derived from the chlorophyll in consumed plant material. Phytanic acid derives from the corresponding alcohol, phytol, and is ultimately oxidized into pristanic acid. In phytanic acid storage disease (Refsum disease) this lipid may comprise as much as 30\\% of the total fatty acids in plasma. These high levels in Refsum disease (a neurological disorder) are due to a phytanic acid alpha-hydroxylase deficiency.; A 20-carbon branched chain fatty acid. In phytanic acid storage disease (Refsum disease) this lipid may comprise as much as 30\\% of the total fatty acids of the plasma. This is due to a phytanic acid alpha-hydroxylase deficiency. [HMDB]
16-Dehydroprogesterone
16-Dehydroprogesterone, also known as delta.16-progesterone, belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton. Thus, 16-dehydroprogesterone is considered to be a steroid lipid molecule. 16-Dehydroprogesterone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Prometrium is a brand of micronized progesterone. It is used as a prescription drug in hormone replacement therapy. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 16-Dehydroprogesterone is a steroidal progestin.
9-Dehydro-Progesterone
Ethisterone
Ethisterone is a metabolite of danazol. Ethisterone is a progestogen hormone. The first orally active progestin, ethisterone (pregneninolone, 17α-ethynyltestosterone or 19–norandrostane), the 17α-ethynyl analog of testosterone, was synthesized in 1938 by Hans Herloff Inhoffen, Willy Logemann, Walter Hohlweg, and Arthur Serini at Schering AG in Berlin and marketed in Germany in 1939 as Proluton C and by Schering in the U.S. in 1945 as Pranone. Ethisterone was also marketed in the U.S. (Wikipedia) G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DC - Estren derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone ATC code: G03DC04
ST 21:4;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 16-Dehydroprogesterone is a steroidal progestin.
8(R)-Hydroperoxylinoleic acid
8(R)-hydroperoxylinoleic acid (8(R)-EPODE) is an oxidized product of linoleic acid. Oxidized lipids such as 8(R)-HPODE can decrease cellular proteoglycan metabolism in endothelial monolayers and alter mRNA levels of major specific proteoglycans in a concentration-dependent manner. This may have implications in lipid-mediated disruption of endothelial barrier function and atherosclerosis. (PMID: 8645361, 9507987).
12,13-Epoxy-9-hydroxy-10-octadecenoate
Dydrogesterone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DB - Pregnadien derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone CONFIDENCE standard compound; INTERNAL_ID 2827 CONFIDENCE standard compound; INTERNAL_ID 8747
Tetrahydrogestrinone
The identification of tetrahydrogestrinone (THG), the first true "designer androgen," as a sports doping agent reflects both an alarmingly sophisticated illicit manufacturing facility and an underground network of androgen abusers in elite sports, as well as the still untapped potential for designer androgens in medicine. Never marketed, THG was apparently developed as a potent androgen that was undetectable by conventional International Olympic Committee-mandated urinary sports doping tests. As a potent androgen and progestin with unspecified contaminants, its distribution for use at high doses without any prior biological or toxicological evaluation poses significant health risks. Yet this diversion of science also highlights the prospect of designer androgens for use in human medicine. Designer androgens also offer the possibility of tissue-specific effects enhancing the beneficial effects of androgens while mitigating the undesirable ones. Further developments require better understanding of the post receptor tissue selectivity of androgens, comparable to the mechanism underlying that of partial estrogen agonists (SERMs). This experience highlights the ongoing need for vigilance to detect novel drug doping strategies in order to maintain fairness and safety in elite sports. This will require the deployment of generic catch-all tests, such as sensitive and specific in vitro androgen bioassays, coupled with the development of mass spectrometry-based tests for specific doping agents. Starting from gestrinone, chemists can synthesize THG in one reaction step. (PMID: 15934041, 15292520) [HMDB] The identification of tetrahydrogestrinone (THG), the first true "designer androgen," as a sports doping agent reflects both an alarmingly sophisticated illicit manufacturing facility and an underground network of androgen abusers in elite sports, as well as the still untapped potential for designer androgens in medicine. Never marketed, THG was apparently developed as a potent androgen that was undetectable by conventional International Olympic Committee-mandated urinary sports doping tests. As a potent androgen and progestin with unspecified contaminants, its distribution for use at high doses without any prior biological or toxicological evaluation poses significant health risks. Yet this diversion of science also highlights the prospect of designer androgens for use in human medicine. Designer androgens also offer the possibility of tissue-specific effects enhancing the beneficial effects of androgens while mitigating the undesirable ones. Further developments require better understanding of the post receptor tissue selectivity of androgens, comparable to the mechanism underlying that of partial estrogen agonists (SERMs). This experience highlights the ongoing need for vigilance to detect novel drug doping strategies in order to maintain fairness and safety in elite sports. This will require the deployment of generic catch-all tests, such as sensitive and specific in vitro androgen bioassays, coupled with the development of mass spectrometry-based tests for specific doping agents. Starting from gestrinone, chemists can synthesize THG in one reaction step. (PMID: 15934041, 15292520). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens
Dydrogesterone
Dydrogesterone is only found in individuals that have used or taken this drug. It is a synthetic progestational hormone with no androgenic or estrogenic properties. Unlike many other progestational compounds, dydrogesterone produces no increase in temperature and does not inhibit ovulation. [PubChem]Dydrogesterone works by regulating the healthy growth and normal shedding of the womb lining by acting on progesterone receptors in the uterus. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DB - Pregnadien derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
15,16-DiHODE
15,16-DiHODE is an oxygenated lipid found in human blood. This fatty acyl belongs to the main class of octadecanoids and the sub class of other octadecanoids. (Lipid Maps) [HMDB] 15,16-DiHODE is an oxygenated lipid found in human blood. This fatty acyl belongs to the main class of octadecanoids and the sub class of other octadecanoids. (Lipid Maps).
9,10-DiHODE
9,10-DiHODE or 9,10-dihydroxy-12Z,15Z- octadecadienoic acid is an oxylipin. It is a double oxidation product of octadeadienoic acid generated through the action of CYP450 on linolenic acid (PMID: 6301473). Specifically cytochrome P-450 catalyzed epoxidation of the omega 3, omega 6 and omega 9 double bonds, followed by enzymatic hydrolysis to 1,2-diols would lead to this compound. [HMDB] 9,10-DiHODE or 9,10-dihydroxy-12Z,15Z- octadecadienoic acid is an oxylipin. It is a double oxidation product of octadeadienoic acid generated through the action of CYP450 on linolenic acid (PMID: 6301473). Specifically cytochrome P-450 catalyzed epoxidation of the omega 3, omega 6 and omega 9 double bonds, followed by enzymatic hydrolysis to 1,2-diols would lead to this compound.
12,13-DiHODE
12,13-DiHODE is an oxygenated lipid found in human blood. This compound belongs to the octadecanoid class of fatty acyls. (Lipid Maps) [HMDB] 12,13-DiHODE is an oxygenated lipid found in human blood. This compound belongs to the octadecanoid class of fatty acyls. (Lipid Maps).
3D,7D,11D-Phytanic acid
3D,7D,11D-Phytanic acid is an isomer of Phytanic acid, an unusual 20-carbon branched-chain fatty acid; Phytanic acid accumulates in blood and tissues of patients with Refsum disease (RD, an inborn error of lipid metabolism inherited as an autosomal recessive trait (OMIM 266500)), and is a reliable identifier of RD from a large number of other neurological disorders. Phytanic acid also accumulates in a number of other disorders with a very different clinical course: disorders of peroxisome biogenesis (Zellweger syndrome (OMIM 214100), neonatal adrenoleukodystrophy (OMIM 202370), infantile Refsum disease (OMIM 266510)) and rhizomelic chondrodysplasia punctata, type 1 (OMIM 215100). Phytanic acid is a 3-methyl fatty acid that cannot be beta-oxidized directly, and first undergoes an alpha-oxidation a reaction catalyzed by the enzyme phytanoyl-CoA hydroxylase, which is deficient in RD, the only true disorder of phytanic acid alpha-oxidation. (The Metabolic and Molecular Bases of Inherited Disease).
Ethyl stearate
Ethyl stearate, also known as fema 3490, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl stearate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Flavouring ingredient. Ethyl stearate is found in coriander and sweet marjoram.
(±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid
(±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid is found in cereals and cereal products. (±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid is isolated from corn. Isolated from corn. (±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid is found in cereals and cereal products.
3L,7D,11D-Phytanic acid
3L,7D,11D-Phytanic acid is an isomer of Phytanic acid, an unusual 20-carbon branched-chain fatty acid; Phytanic acid accumulates in blood and tissues of patients with Refsum disease (RD, an inborn error of lipid metabolism inherited as an autosomal recessive trait (OMIM 266500)), and is a reliably identifier of RD from a large number of other neurological disorders. Phytanic acid also accumulates in a number of other disorders with a very different clinical course: disorders of peroxisome biogenesis (Zellweger syndrome (OMIM 214100), neonatal adrenoleukodystrophy (OMIM 202370), infantile Refsum disease (OMIM 266510)) and rhizomelic chondrodysplasia punctata, type 1 (OMIM 215100). Phytanic acid is a 3-methyl fatty acid that cannot be beta-oxidized directly, and first undergoes an alpha-oxidation a reaction catalyzed by the enzyme phytanoyl-CoA hydroxylase, which is deficient in RD, the only true disorder of phytanic acid alpha-oxidation. (The Metabolic and Molecular Bases of Inherited Disease). 3L,7D,11D-Phytanic acid is an isomer of Phytanic acid, an unusual 20-carbon branched-chain fatty acid; Phytanic acid accumulates in blood and tissues of patients with Refsum disease (RD, an inborn error of lipid metabolism inherited as an autosomal recessive trait (OMIM 266500)), and is a reliably identifier of RD from a large number of other neurological disorders.
2,2,6,10,14-Pentamethylpentadecanoic acid
2,2,6,10,14-Pentamethylpentadecanoic acid is found in fishes. 2,2,6,10,14-Pentamethylpentadecanoic acid is isolated from the oil of the redfish (Sebastes sp. Isolated from the oil of the redfish (Sebastes species). 2,2,6,10,14-Pentamethylpentadecanoic acid is found in fishes.
5-Hydroxy-7-eicosanone
5-Hydroxy-7-eicosanone is found in fats and oils. 5-Hydroxy-7-eicosanone is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 5-Hydroxy-7-eicosanone is found in fats and oils.
4-Hydroxy-6-eicosanone
4-Hydroxy-6-eicosanone is found in fats and oils. 4-Hydroxy-6-eicosanone is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 4-Hydroxy-6-eicosanone is found in fats and oils.
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate, also known as 9(S)-hpod or 9-hydroperoxy-11,12-octadecadienoic acid, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate is considered to be an octadecanoid lipid molecule (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate can be found in a number of food items such as burdock, oat, parsnip, and cocoa bean, which makes (9s,10e,12z,15z)-9-hydroperoxy-10,12,15-octadecadienoate a potential biomarker for the consumption of these food products. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid, also known as 9(S)-HPOD or (9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate, is classified as a lineolic acid or a Lineolic acid derivative. Lineolic acids are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid is considered to be practically insoluble (in water) and acidic. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid is an octadecanoid lipid molecule. (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid can be found throughout numerous foods such as Barley, Prunus (Cherry, Plum), Cherimoya, and Prairie turnips D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
3,7R,11R,15-tetramethyl-hexadecanoic acid
3,7R,11R,15-tetramethyl-hexadecanoic acid is classified as a member of the Acyclic diterpenoids. Acyclic diterpenoids are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. 3,7R,11R,15-tetramethyl-hexadecanoic acid is considered to be practically insoluble (in water) and acidic. 3,7R,11R,15-tetramethyl-hexadecanoic acid is an isoprenoid lipid molecule
13-HPODE(1-)
13-HPODE(1-) is also known as 13-Hydroperoxy-(9Z,11E)-octadecadienoate. 13-HPODE(1-) is considered to be practically insoluble (in water) and acidic
(+)-Norgestrel
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Progestoral
7alpha-Methyl-17-ethinyl-19-nortestosterone
1,1-Bis(P-ethoxyphenyl)-2,2-dimethylpropane
(6AR,10AR)-3-(1,1-Dimethylbutyl)-6A,7,10,10A-tetrahydro-6,6,9-trimethyl-6H-dibenzo[B,D]pyran
Octadecendioic acid
Octadecendioic acid, also known as 1,16-hexadecanedicarboxylate or 1,18-octadecanedioate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Octadecendioic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Octadecendioic acid can be found in potato, which makes octadecendioic acid a potential biomarker for the consumption of this food product.
Butyl palmitate
Butyl palmitate, also known as N-butyl palmitic acid or hexadecanoic acid, butyl ester, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Butyl palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butyl palmitate can be found in common grape, which makes butyl palmitate a potential biomarker for the consumption of this food product.
octadecenedioate
Octadecenedioate is also known as octadecenedioic acid. Octadecenedioate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Octadecenedioate can be found in a number of food items such as buffalo currant, pepper (c. pubescens), lemon grass, and common grape, which makes octadecenedioate a potential biomarker for the consumption of these food products.
Guggulsterone
Guggulsterone is a 3-hydroxy steroid. It has a role as an androgen. Guggulsterone is a natural product found in Commiphora mukul and Commiphora wightii with data available. E-Guggulsterone is a 3-hydroxy steroid. It has a role as an androgen. E-Guggulsterone is a natural product found in Commiphora mukul and Commiphora wightii with data available. (-)-(E)-Guggulsterone is the metabolite of Z-guggulsterone. Guggulsterone is an active constituent of guggulipid, an ayurvedic agent derived from Commiphora mukul. Guggulsterone has hypolipidaemic activity[1]. (-)-(E)-Guggulsterone is the metabolite of Z-guggulsterone. Guggulsterone is an active constituent of guggulipid, an ayurvedic agent derived from Commiphora mukul. Guggulsterone has hypolipidaemic activity[1]. (Z)-Guggulsterone, a constituent of Indian Ayurvedic medicinal plant Commiphora mukul, inhibits the growth of human prostate cancer cells by causing apoptosis. (Z)-Guggulsterone inhibits angiogenesis by suppressing the VEGF–VEGF-R2–Akt signaling axis[1]. (Z)-Guggulsterone is also a potent FXR antagonist. (Z)-Guggulsterone reduces ACE2 expression and SARS-CoV-2 infection[2]. (Z)-Guggulsterone, a constituent of Indian Ayurvedic medicinal plant Commiphora mukul, inhibits the growth of human prostate cancer cells by causing apoptosis. (Z)-Guggulsterone inhibits angiogenesis by suppressing the VEGF–VEGF-R2–Akt signaling axis[1]. (Z)-Guggulsterone is also a potent FXR antagonist. (Z)-Guggulsterone reduces ACE2 expression and SARS-CoV-2 infection[2]. Guggulsterone is a plant sterol derived from the gum resin of the tree Commiphora wightii. Guggulsterone inhibits the growth of a wide variety of tumor cells and induces apoptosis through down regulation of antiapoptotic gene products (IAP1, xIAP, Bfl-1/A1, Bcl-2, cFLIP and survivin), modulation of cell cycle proteins (cyclin D1 and c-Myc), activation of caspases and JNK, inhibition of Akt[1]. Guggulsterone, a farnesoid X receptor (FXR) antagonist, decreases CDCA-induced FXR activation with IC50s of 17 and 15 μM for Z- and E-Guggulsterone, respectively[2]. Guggulsterone is a plant sterol derived from the gum resin of the tree Commiphora wightii. Guggulsterone inhibits the growth of a wide variety of tumor cells and induces apoptosis through down regulation of antiapoptotic gene products (IAP1, xIAP, Bfl-1/A1, Bcl-2, cFLIP and survivin), modulation of cell cycle proteins (cyclin D1 and c-Myc), activation of caspases and JNK, inhibition of Akt[1]. Guggulsterone, a farnesoid X receptor (FXR) antagonist, decreases CDCA-induced FXR activation with IC50s of 17 and 15 μM for Z- and E-Guggulsterone, respectively[2]. Guggulsterone is a plant sterol derived from the gum resin of the tree Commiphora wightii. Guggulsterone inhibits the growth of a wide variety of tumor cells and induces apoptosis through down regulation of antiapoptotic gene products (IAP1, xIAP, Bfl-1/A1, Bcl-2, cFLIP and survivin), modulation of cell cycle proteins (cyclin D1 and c-Myc), activation of caspases and JNK, inhibition of Akt[1]. Guggulsterone, a farnesoid X receptor (FXR) antagonist, decreases CDCA-induced FXR activation with IC50s of 17 and 15 μM for Z- and E-Guggulsterone, respectively[2].
Tibolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000970 - Antineoplastic Agents
18-Methylnonadecanoic acid
A methyl-branched fatty acid that is nonadecanoic acid substituted by a methyl group at position 18.
(2E)-2-dodecylidene-3-hydroxy-4-methoxy-4-methylbutanolide|(2E,3R,4S)-2-dodecylidene-3-hydroxy-4-methoxy-4-methylbutanolide|litseakolide H
methyl 2-[4-ethyl-6-(2-ethylhex-3-enyl)-6-methyldioxan-3-yl]acetate
17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
1-methyl-1-(3-phenyl-acryloyl)-dodecahydro-[2,3]bipyridinyl|N-methyl-astrophylline|N-Methylastrophyllin
Oxiranemethanol, 3-methyl-3-(4,8,12-trimethyltridecyl)-
(-)-neoavarone|2-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-(methylene)decahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione|isoavarone|neoavarone
Me ester-(R)-11-Cycloheptyl-2-hydroxyundecanoic acid
2-Methylpropanoyl-(2E,9Z)-2,9,16-Heptadecatriene-4,6-diyn-1-ol
(2R,3S,4S)-3-hydroxy-4-methyl-2-tetradecyl-butanolide|(2S,3S,4S)-3-hydroxy-4-methyl-2-tetradecyl-4-butanolide
4,5-trans-4.5-dihydroxy-5-(1-hydroxytridecyl)-2-cyclopenten-1-one|hygrophoron A12|Hygrophorone A12
(8E,12Z)-10,11-dihydroxyoctadeca-8,12-dienoic acid
1beta,2beta,3alpha-cyclopent-4-ene-1,2,3-triol 2-O-tridecanoic acid ester
(2S,4aR,10bR)-1,1,4a,10b-tetramethyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-2-ol
(?)-(5S,10S)-13-isopropyl-7-oxo-abieta-8,11,13-trien-20-oicacid|inonotusic acid
(2R,8S,6E)-14-((5S)-2-oxo-tetrahydrofuran-5-yl)-tetradec-6-en-2,8-diol|13R-Hydroxy-Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3H)-furanone|piliferolide C
Cyclohexa-1,4-diene-3,6-dione, 1-(2-methylene-5,5,8a-trimethyldecalin-1-yl)methyl-
2-(4,8-dimethylnona-3,7-dienyl)-2-methylchromen-6-ol
4,6-Diethyl-6-(2-methylhexyl)-3,6-dihydro-1,2-dioxin-3-acetic acid methyl ester
9(S)-HPODE
9(S)-HPODE is an intermediate in Linoleic acid metabolism(KEGG ID C14827). It is the second to last step in the synthesis of 9-oxoODE, and is converted from linoleate via the enzyme arachidonate 5-lipoxygenase [EC:1.13.11.34]. It is then converted to 9(S)-HODE. (10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid is an octadecadienoic acid and a hydroperoxy polyunsaturated fatty acid.
Levonorgestrel
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Ethisterone
A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DC - Estren derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone ATC code: G03DC04
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Norgestrel
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AD - Emergency contraceptives G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4987; ORIGINAL_PRECURSOR_SCAN_NO 4984 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5650; ORIGINAL_PRECURSOR_SCAN_NO 5649 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4969; ORIGINAL_PRECURSOR_SCAN_NO 4965 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5035; ORIGINAL_PRECURSOR_SCAN_NO 5034 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5762; ORIGINAL_PRECURSOR_SCAN_NO 5761 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5116; ORIGINAL_PRECURSOR_SCAN_NO 5115 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9309; ORIGINAL_PRECURSOR_SCAN_NO 9307 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9321; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9409; ORIGINAL_PRECURSOR_SCAN_NO 9405 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9359; ORIGINAL_PRECURSOR_SCAN_NO 9356 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9374; ORIGINAL_PRECURSOR_SCAN_NO 9371 CONFIDENCE standard compound; INTERNAL_ID 282; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9442; ORIGINAL_PRECURSOR_SCAN_NO 9438 CONFIDENCE standard compound; INTERNAL_ID 2806 CONFIDENCE standard compound; INTERNAL_ID 8737
PHYTANIC ACID
A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15.
16-Dehydroprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 16-Dehydroprogesterone is a steroidal progestin.
Arachidic acid
Arachidonic acid (Icosanoic acid), a long-chain fatty acid, is present in all mammalian cells, typically esterified to membrane phospholipids, and is one of the most abundant polyunsaturated fatty acids present in human tissue[1][2]. Arachidonic acid (Icosanoic acid), a long-chain fatty acid, is present in all mammalian cells, typically esterified to membrane phospholipids, and is one of the most abundant polyunsaturated fatty acids present in human tissue[1][2].
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid
DL-Norgestrel
CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5003; ORIGINAL_PRECURSOR_SCAN_NO 5002 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5014; ORIGINAL_PRECURSOR_SCAN_NO 5011 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5000; ORIGINAL_PRECURSOR_SCAN_NO 4999 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4992; ORIGINAL_PRECURSOR_SCAN_NO 4991 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4990; ORIGINAL_PRECURSOR_SCAN_NO 4989 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4991; ORIGINAL_PRECURSOR_SCAN_NO 4990 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9404; ORIGINAL_PRECURSOR_SCAN_NO 9401 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9274; ORIGINAL_PRECURSOR_SCAN_NO 9272 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9424; ORIGINAL_PRECURSOR_SCAN_NO 9422 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9445; ORIGINAL_PRECURSOR_SCAN_NO 9444 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9346; ORIGINAL_PRECURSOR_SCAN_NO 9344 CONFIDENCE standard compound; INTERNAL_ID 855; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9440; ORIGINAL_PRECURSOR_SCAN_NO 9438
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acid_major
Z-Guggulsterone
(Z)-Guggulsterone, a constituent of Indian Ayurvedic medicinal plant Commiphora mukul, inhibits the growth of human prostate cancer cells by causing apoptosis. (Z)-Guggulsterone inhibits angiogenesis by suppressing the VEGF–VEGF-R2–Akt signaling axis[1]. (Z)-Guggulsterone is also a potent FXR antagonist. (Z)-Guggulsterone reduces ACE2 expression and SARS-CoV-2 infection[2]. (Z)-Guggulsterone, a constituent of Indian Ayurvedic medicinal plant Commiphora mukul, inhibits the growth of human prostate cancer cells by causing apoptosis. (Z)-Guggulsterone inhibits angiogenesis by suppressing the VEGF–VEGF-R2–Akt signaling axis[1]. (Z)-Guggulsterone is also a potent FXR antagonist. (Z)-Guggulsterone reduces ACE2 expression and SARS-CoV-2 infection[2].
(E)-guggulsterone
(-)-(E)-Guggulsterone is the metabolite of Z-guggulsterone. Guggulsterone is an active constituent of guggulipid, an ayurvedic agent derived from Commiphora mukul. Guggulsterone has hypolipidaemic activity[1]. (-)-(E)-Guggulsterone is the metabolite of Z-guggulsterone. Guggulsterone is an active constituent of guggulipid, an ayurvedic agent derived from Commiphora mukul. Guggulsterone has hypolipidaemic activity[1].
Tetrahydrogestrinone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens
13-HpODE
An HPODE (hydroperoxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroperoxy group is at position 13. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
2-[(2-hydroxy-5-tert-butyl-phenyl)methyl]-4-tert-butyl-phenol
2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)-2-METHYLPROPAN-1-OL
1-BOC-3-[(4-METHYL-PIPERAZIN-1-YLETHYL)-AMINO]-PYRROLIDINE
1-BOC-3-[(4-METHYL-PIPERAZIN-1-YLPROPYL)-AMINO]-AZETIDINE
4-[3-(4-hydroxy-3,5-dimethylphenyl)pentan-3-yl]-2,6-dimethylphenol
4-[1-(4-HYDROXY-3,5-DIMETHYLPHENYL)-1-METHYLBUTYL]-2,6-DIMETHYLPHENOL
1,1,1-trideuterio-6-(dimethylamino)-4,4-diphenylheptan-3-one
1-CYCLOHEXYL-5-[(PIPERIDIN-1-YL)METHYL]-1H-BENZIMIDAZOL-2-AMINE
Demegestone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DB - Pregnadien derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
TERT-BUTYLDIMETHYL((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BUT-3-EN-1-YL)OXY)SILANE
2-[(2,6-diethylphenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
2-METHYL-N-(TRI(PYRROLIDIN-1-YL)PHOSPHORANYLIDENE)PROPAN-2-AMINE
(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoic acid
9(R)-HpODE
An HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (R configuration).
13-Hydroperoxy-9,11-octadecadienoic acid
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(5S,6E,8Z)-5,18-Dihydroxyoctadeca-6,8-dienoic acid
guggulsterone
(-)-(E)-Guggulsterone is the metabolite of Z-guggulsterone. Guggulsterone is an active constituent of guggulipid, an ayurvedic agent derived from Commiphora mukul. Guggulsterone has hypolipidaemic activity[1]. (-)-(E)-Guggulsterone is the metabolite of Z-guggulsterone. Guggulsterone is an active constituent of guggulipid, an ayurvedic agent derived from Commiphora mukul. Guggulsterone has hypolipidaemic activity[1]. Guggulsterone is a plant sterol derived from the gum resin of the tree Commiphora wightii. Guggulsterone inhibits the growth of a wide variety of tumor cells and induces apoptosis through down regulation of antiapoptotic gene products (IAP1, xIAP, Bfl-1/A1, Bcl-2, cFLIP and survivin), modulation of cell cycle proteins (cyclin D1 and c-Myc), activation of caspases and JNK, inhibition of Akt[1]. Guggulsterone, a farnesoid X receptor (FXR) antagonist, decreases CDCA-induced FXR activation with IC50s of 17 and 15 μM for Z- and E-Guggulsterone, respectively[2]. Guggulsterone is a plant sterol derived from the gum resin of the tree Commiphora wightii. Guggulsterone inhibits the growth of a wide variety of tumor cells and induces apoptosis through down regulation of antiapoptotic gene products (IAP1, xIAP, Bfl-1/A1, Bcl-2, cFLIP and survivin), modulation of cell cycle proteins (cyclin D1 and c-Myc), activation of caspases and JNK, inhibition of Akt[1]. Guggulsterone, a farnesoid X receptor (FXR) antagonist, decreases CDCA-induced FXR activation with IC50s of 17 and 15 μM for Z- and E-Guggulsterone, respectively[2]. Guggulsterone is a plant sterol derived from the gum resin of the tree Commiphora wightii. Guggulsterone inhibits the growth of a wide variety of tumor cells and induces apoptosis through down regulation of antiapoptotic gene products (IAP1, xIAP, Bfl-1/A1, Bcl-2, cFLIP and survivin), modulation of cell cycle proteins (cyclin D1 and c-Myc), activation of caspases and JNK, inhibition of Akt[1]. Guggulsterone, a farnesoid X receptor (FXR) antagonist, decreases CDCA-induced FXR activation with IC50s of 17 and 15 μM for Z- and E-Guggulsterone, respectively[2].
(7S,8R,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoic acid
(17E)-17-Ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
[3-carboxy-2-[(4E,7E)-deca-4,7-dienoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(2E,4Z)-deca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4Z)-deca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,8E)-deca-3,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E)-deca-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,6E)-deca-3,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E)-deca-6,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-deca-3,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,8E)-deca-2,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-deca-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-deca-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,7E)-deca-2,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-deca-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,8E)-deca-4,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,7E)-deca-3,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E)-deca-2,5-dienoyl]oxypropyl]-trimethylazanium
(trans-12,13-Epoxy)-11-hydroxy-9(Z)-octadecenoic acid
2-t-Butyl-5-isobutyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid, t-butyl ester
3-Oxopristanic acid
A 3-oxo monocarboxylic acid comprised of pristanic acid with an oxo group at C-3.
(2E)-19-hydroxynonadec-2-enoic acid
An omega-hydroxy fatty acid that is 19-hydroxynonadecanoic acid which has been dehydrogenated to introduce a trans double bond at the 2-3 position.
(2E,18R)-18-hydroxynonadec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is nonadecanoic acid which has been dehydrogenated to introduce a double bond with E configuration between positions 2 and 3 and in which the pro-R hydrogen at position 17 has been replaced by a hydroxy group.
(Z)-11-hydroxy-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
(10S,13R,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
(8S,9R,10S,13R,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
(9Z)-11-[3-(5-hydroxypentyl)oxiran-2-yl]undec-9-enoic acid
[(2S)-3-carboxy-2-[(2E,4Z)-deca-2,4-dienoyl]oxypropyl]-trimethylazanium
8-[(2S,3S)-3-[(Z,1S)-1-hydroxyoct-2-enyl]oxiran-2-yl]octanoic acid
(Z,11R)-11-hydroxy-11-[(2S,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
8-[(2S,3S)-3-[(Z,1R)-1-hydroxyoct-2-enyl]oxiran-2-yl]octanoic acid
[(1S)-3-carboxy-1-[(2E,4Z)-deca-2,4-dienoyl]oxypropyl]-trimethylazanium
(9S)-9-[(2R,3R)-3-[(Z)-hept-1-enyl]oxiran-2-yl]-9-hydroxynonanoic acid
(E,10R)-10-hydroxy-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-8-enoic acid
(8R,9R,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(9E,15E)-12,13-dihydroxyoctadeca-9,15-dienoic acid
13(S)-HPODE
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides The (S)-enantiomer of 13-HPODE
(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid
(8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid
A C18 long-chain hydroperoxy fatty acid having E and Z double bonds at C-8 and C-12, respectively, and a hydroperoxy group at C-10.
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid
An epoxy fatty acid that is (9Z)-11-hydroxyoctadecenoic acid in which the epoxy group is located across positions 12 and 13.
N-hexadecanoylglycinate
An N-acylglycinate that is the conjugate base of N-hexadecanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid
(8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid with S-configuration at C-10.
Octadecanedioate
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of octadecanedioic acid.
9(S)-HPODE
An HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (S configuration). It is an intermediate in the metabolic pathway for linoleic acid.
5(S),8(R)-DiHODE
A dihydroxy monocarboxylic acid that is the (5S,8R)-dihydroxy derivative of linoleic acid.
(11S)-11-hydroperoxylinoleic acid
The 11-hydroperoxy derivative of linoleic acid having (S)-configuration.
7(S),8(S)-DiHODE
A dihydroxy monocarboxylic acid that is the 7(S),8(S)-dihydroxy derivative of linoleic acid.
methyl 2-[(3s,4r,6s)-4-ethyl-6-[(3e)-2-ethylhex-3-en-1-yl]-6-methyl-1,2-dioxan-3-yl]acetate
(1r,9r,12r,19r)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-triene
[(3r,4r,6s)-4,6-diethyl-6-[(2r,3e)-2-ethylhex-3-en-1-yl]-1,2-dioxan-3-yl]acetic acid
2-{[(6r)-2,6-dimethyl-6-[(1e)-4-methylpenta-1,3-dien-1-yl]cyclohex-1-en-1-yl]methyl}benzene-1,4-diol
12-ethyl-4-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-triene
(4s,5s,6s)-5-dodecyl-4,5,6-trihydroxycyclohex-2-en-1-one
(4s,5r)-4,5-dihydroxy-5-(1-hydroxytridecyl)cyclopent-2-en-1-one
3-benzyl-5-methyl-6-(6-methylheptyl)-1h-pyrazin-2-one
2-{[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
2-[(1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
(8s,9z,12z)-8-hydroxyoctadeca-9,12-dieneperoxoic acid
(3e,7e,11z,14s)-4,8,12-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11-tetraene-15,17-dione
(12r,13s)-12,13-dihydroxyoctadeca-9,10-dienoic acid
2-[(5s,7s)-1,1,7-trimethyl-6-methylidene-3,4,5,7,8,9-hexahydro-2h-benzo[7]annulen-5-yl]benzene-1,4-diol
(1r,3ar,4s,6r)-1,4,7-trimethyl-6-(2-methylprop-1-en-1-yl)-1h,2h,3h,3ah,4h,5h,6h,9h-phenaleno[1,2-d][1,3]dioxole
(2s,4'ar,8'ar)-2',5',5',8'a-tetramethyl-4'a,6',7',8'-tetrahydro-3h,4'h-spiro[1-benzofuran-2,1'-naphthalen]-5-ol
methyl 2-[4-ethyl-6-(2-ethylhex-3-en-1-yl)-6-methyl-1,2-dioxan-3-yl]acetate
methyl 4-{[4-ethyl-2-methyl-5-(prop-1-en-1-yl)oxolan-2-yl]methyl}-3-hydroxyhexanoate
20-methoxy-4,17(20)Z-pregnadiene-3,16-dione
{"Ingredient_id": "HBIN003422","Ingredient_name": "20-methoxy-4,17(20)Z-pregnadiene-3,16-dione","Alias": "NA","Ingredient_formula": "C21H28O2","Ingredient_Smile": "CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42314","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
avarone
{"Ingredient_id": "HBIN017394","Ingredient_name": "avarone","Alias": "NA","Ingredient_formula": "C21H28O2","Ingredient_Smile": "CC1CCC2(C(C1(C)CC3=CC(=O)C=CC3=O)CCC=C2C)C","Ingredient_weight": "312.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "10981;10982","PubChem_id": "72186","DrugBank_id": "NA"}
