Exact Mass: 286.1892
Exact Mass Matches: 286.1892
Found 500 metabolites which its exact mass value is equals to given mass value 286.1892,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ferruginol
Ferruginol is an abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12. It has a role as an antineoplastic agent, an antibacterial agent, a protective agent and a plant metabolite. It is an abietane diterpenoid, a member of phenols, a carbotricyclic compound and a meroterpenoid. Ferruginol is a natural product found in Calocedrus macrolepis, Teucrium polium, and other organisms with data available. An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12.
Androstenedione
Androst-4-en-3,17-dione, also known as androstenedione or delta(4)-androsten-3,17-dione, 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, androst-4-en-3,17-dione is considered to be a steroid lipid molecule. Androst-4-en-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Androst-4-en-3,17-dione can be found in a number of food items such as naranjilla, purslane, common cabbage, and oval-leaf huckleberry, which makes androst-4-en-3,17-dione a potential biomarker for the consumption of these food products. Androst-4-en-3,17-dione can be found primarily in blood, cerebrospinal fluid (CSF), and urine, as well as throughout most human tissues. In humans, androst-4-en-3,17-dione is involved in a couple of metabolic pathways, which include androgen and estrogen metabolism and androstenedione metabolism. Androst-4-en-3,17-dione is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. Moreover, androst-4-en-3,17-dione is found to be associated with rheumatoid arthritis, thyroid cancer , cushings Syndrome, and schizophrenia. Androst-4-en-3,17-dione is a non-carcinogenic (not listed by IARC) potentially toxic compound. Androstenedione is a delta-4 19-carbon steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. It is the common precursor of male and female sex hormones. Some androstenedione is also secreted into the plasma and may be converted in peripheral tissues to testosterone and estrogens. Androstenedione originates either from the conversion of dehydroepiandrosterone or from 17-hydroxyprogesterone. It is further converted to either testosterone or estrone. The production of adrenal androstenedione is governed by ACTH, while the production of gonadal androstenedione is under control by gonadotropins. CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9081; ORIGINAL_PRECURSOR_SCAN_NO 9076 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9111; ORIGINAL_PRECURSOR_SCAN_NO 9108 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9064 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9077; ORIGINAL_PRECURSOR_SCAN_NO 9075 CONFIDENCE standard compound; INTERNAL_ID 396; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9113; ORIGINAL_PRECURSOR_SCAN_NO 9112 C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2803 INTERNAL_ID 2803; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4165
16a-Hydroxyestrone
16a-Hydroxyestrone or 16alpha-hydroxyestrone (16α-OH-E1 or 16a OHE1), or hydroxyestrone, is an endogenous steroidal estrogen and a major metabolite of estrone and estradiol. 16a-hydroxyestrone belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Thus, 16a-hydroxyestrone is considered to be a steroid molecule. 16a-hydroxyestrone is found in all vertebrates. Vertebrates, especially mammals, metabolizes estrogen into two major pathways and one minor. The two major pathways lead to 2-hydroxyestrone and 16a-hydroxyestrone (2-OHE1 and 16a OHE1 respectively). The minor pathway leads to 4-hydroxyestrone (4-OHE1). 2a-hydroxyestrone is considered to be the good metabolite (PMID: 8943806) as 2-hydroxyestrone does not stimulate cell growth and it blocks the action of stronger estrogens that may be carcinogenic. 16a-Hydroxyestrone, on the other hand, has a significantly stronger estrogenic activity, and studies show that it may increase the risk of breast cancer. The binding of 16a-hydroxyestrone to the estrogen receptor is reported to be covalent and irreversible (PMID: 3186693). A low urinary ratio of 2-hydroxyestrone to 16-alpha-hydroxyestrone is a strong predictor of breast cancer risk among women (PMID: 19502596). Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Boldenon
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D07536 Origin: Animal; SubCategory_DNP: The sterols, Androstanes
Hexadecanedioic acid
Hexadecanedioic acid, also known as thapsic 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. Hexadecanedioic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Hexadecanedioic acid is activated by mitochondrial and microsomal fractions in the liver (PMID: 4372285). It has antitumor activity (PMID: 14987827). Hexadecanedioic acid is activated by mitochondrial and microsomal fractions in liver (PMID 4372285). It has an antitumor activity (PMID 14987827). Hexadecanedioic acid is found in sweet cherry and potato. Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples. Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples.
Abacavir
Abacavir is only found in individuals that have used or taken this drug. It is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. [Wikipedia]Abacavir is a carbocyclic synthetic nucleoside analogue. Intracellularly, abacavir is converted by cellular enzymes to the active metabolite carbovir triphosphate, an analogue of deoxyguanosine-5-triphosphate (dGTP). Carbovir triphosphate inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Retinol(Vitamin A)
Vitamin A (retinol) is a yellow fat-soluble, antioxidant vitamin important in vision and bone growth. It belongs to the family of chemical compounds known as retinoids. Retinol is ingested in a precursor form; animal sources (milk and eggs) contain retinyl esters, whereas plants (carrots, spinach) contain pro-vitamin A carotenoids. Hydrolysis of retinyl esters results in retinol while pro-vitamin A carotenoids can be cleaved to produce retinal. Retinal, also known as retinaldehyde, can be reversibly reduced to produce retinol or it can be irreversibly oxidized to produce retinoic acid. Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of carotenoids found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products. Retinyl esters from animal-sourced foods (or synthesized for dietary supplements for humans and domesticated animals) are acted upon by retinyl ester hydrolases in the lumen of the small intestine to release free retinol. Retinol enters intestinal absorptive cells by passive diffusion. Absorption efficiency is in the range of 70 to 90\%. Humans are at risk for acute or chronic vitamin A toxicity because there are no mechanisms to suppress absorption or excrete the excess in urine.[5] Within the cell, retinol is there bound to retinol binding protein 2 (RBP2). It is then enzymatically re-esterified by the action of lecithin retinol acyltransferase and incorporated into chylomicrons that are secreted into the lymphatic system. Unlike retinol, β-carotene is taken up by enterocytes by the membrane transporter protein scavenger receptor B1 (SCARB1). The protein is upregulated in times of vitamin A deficiency. If vitamin A status is in the normal range, SCARB1 is downregulated, reducing absorption.[6] Also downregulated is the enzyme beta-carotene 15,15'-dioxygenase (formerly known as beta-carotene 15,15'-monooxygenase) coded for by the BCMO1 gene, responsible for symmetrically cleaving β-carotene into retinal.[8] Absorbed β-carotene is either incorporated as such into chylomicrons or first converted to retinal and then retinol, bound to RBP2. After a meal, roughly two-thirds of the chylomicrons are taken up by the liver with the remainder delivered to peripheral tissues. Peripheral tissues also can convert chylomicron β-carotene to retinol.[6][15] The capacity to store retinol in the liver means that well-nourished humans can go months on a vitamin A deficient diet without manifesting signs and symptoms of deficiency. Two liver cell types are responsible for storage and release: hepatocytes and hepatic stellate cells (HSCs). Hepatocytes take up the lipid-rich chylomicrons, bind retinol to retinol-binding protein 4 (RBP4), and transfer the retinol-RBP4 to HSCs for storage in lipid droplets as retinyl esters. Mobilization reverses the process: retinyl ester hydrolase releases free retinol which is transferred to hepatocytes, bound to RBP4, and put into blood circulation. Other than either after a meal or when consumption of large amounts exceeds liver storage capacity, more than 95\% of retinol in circulation is bound to RBP4.[15] Vitamin A is a fat-soluble vitamin, hence an essential nutrient. The term "vitamin A" encompasses a group of chemically related organic compounds that includes retinol, retinal (also known as retinaldehyde), retinoic acid, and several provitamin (precursor) carotenoids, most notably beta-carotene.[3][4][5][6] Vitamin A has multiple functions: essential in embryo development for growth, maintaining the immune system, and healthy vision, where it combines with the protein opsin to form rhodopsin – the light-absorbing molecule necessary for both low-light (scotopic vision) and color vision.[7] Vitamin A occurs as two principal forms in foods: A) retinol, found in animal-sourced foods, either as retinol or bound to a fatty acid to become a retinyl ester, and B) the carotenoids alpha-carotene, β-carotene, gamma-carotene, and the xanthophyll beta-cryptoxanthin (all of which contain β-ionone rings) that function as provitamin A in herbivore and omnivore animals which possess the enzymes that cleave and convert provitamin carotenoids to retinal and then to retinol.[8] Some carnivore species lack this enzyme. The other carotenoids have no vitamin activity.[6] Dietary retinol is absorbed from the digestive tract via passive diffusion. Unlike retinol, β-carotene is taken up by enterocytes by the membrane transporter protein scavenger receptor B1 (SCARB1), which is upregulated in times of vitamin A deficiency.[6] Storage of retinol is in lipid droplets in the liver. A high capacity for long-term storage of retinol means that well-nourished humans can go months on a vitamin A- and β-carotene-deficient diet, while maintaining blood levels in the normal range.[4] Only when the liver stores are nearly depleted will signs and symptoms of deficiency show.[4] Retinol is reversibly converted to retinal, then irreversibly to retinoic acid, which activates hundreds of genes.[9] Vitamin A deficiency is common in developing countries, especially in Sub-Saharan Africa and Southeast Asia. Deficiency can occur at any age but is most common in pre-school age children and pregnant women, the latter due to a need to transfer retinol to the fetus. Vitamin A deficiency is estimated to affect approximately one-third of children under the age of five around the world, resulting in hundreds of thousands of cases of blindness and deaths from childhood diseases because of immune system failure.[10] Reversible night blindness is an early indicator of low vitamin A status. Plasma retinol is used as a biomarker to confirm vitamin A deficiency. Breast milk retinol can indicate a deficiency in nursing mothers. Neither of these measures indicates the status of liver reserves.[6] The European Union and various countries have set recommendations for dietary intake, and upper limits for safe intake. Vitamin A toxicity also referred to as hypervitaminosis A, occurs when there is too much vitamin A accumulating in the body. Symptoms may include nervous system effects, liver abnormalities, fatigue, muscle weakness, bone and skin changes, and others. The adverse effects of both acute and chronic toxicity are reversed after consumption of high dose supplements is stopped.[6]
2-Hydroxyestrone
2-Hydroxyestrone (2-OHE1), also known as estra-1,3,5(10)-trien-2,3-diol-17-one, is an endogenous, naturally occurring catechol estrogen and a major metabolite of estrone and estradiol. 2-Hydroxyestrone belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Thus, 2-Hydroxyestrone is considered to be a steroid molecule. It is formed irreversibly from estrone in the liver and to a lesser extent in other tissues via 2-hydroxylation mediated by cytochrome P450 enzymes, mainly the CYP3A and CYP1A subfamilies. 2-OHE1 is the most abundant catechol estrogen in the body. 2-Hydroxyestrone is found in all vertebrates. Vertebrates, especially mammals, metabolizes estrogen into two major pathways and one minor. The two major pathways lead to 2-hydroxyestrone and 16a-hydroxyestrone (2-OHE1 and 16a OHE1, respectively). The minor pathway leads to 4-hydroxyestrone (4-OHE1). 2a-hydroxyestrone is considered to be the good steroid metabolite (PMID: 8943806) as 2-hydroxyestrone does not stimulate cell growth and it blocks the action of stronger estrogens that may be carcinogenic. 2-hydroxyestrone is not significantly uterotrophic, whereas other hydroxylated estrogen metabolites including 2-hydroxyestradiol, 16a-hydroxyestrone, estriol, 4-hydroxyestradiol, and 4-hydroxyestrone all are. A low urinary ratio of 2-hydroxyestrone to 16-alpha-hydroxyestrone is a strong predictor of breast cancer risk among women (PMID: 19502596). Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
METHALLENESTRIL
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
ent-Kaur-16-en-19-al
ent-16-Kauren-19-al is found in fruits. ent-16-Kauren-19-al is a constituent of the root of Annona squamosa (sugar apple).
Neoabietal
levopimaral
16-Ketoestradiol
16-Ketoestradiol is found in the estrogen patch. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle (Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although the estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. [HMDB] 16-Ketoestradiol is found in the estrogen patch. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle (Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although the estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Methylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
8,13-Abietadien-18-al
8,13-Abietadien-18-al is found in fruits. 8,13-Abietadien-18-al is isolated from Pinus koraiensis (Korean pine) and other conifers. Isolated from Pinus koraiensis (Korean pine) and other conifers. 8,13-Abietadien-18-al is found in herbs and spices and fruits.
isopimaral
androst-5-ene-3,17-dione
androst-5-ene-3,17-dione, also known as delta5-ADD or δ5-add, is classified as an androgen or an Androgen derivative. Androgens 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. androst-5-ene-3,17-dione is considered to be practically insoluble (in water) and relatively neutral D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11-cis-Retinol
Cis-11-retinol is produce from vitamin A cycle driven by interphotoreceptor retinoid binding protein(IRBP). cis-11-retinol is released from retinal pigment epithelium(RPE) membranes. (PMID: 10655150). Retinoid metabolism of RPE cells freshly isolated by trypsinization showed no 11- cis -retinal and little 11- cis -retinol formation. Nondamaged cells cultured on thermally responsive surfaces detached in sheets upon temperature change. They showed metabolism similar to that of cells freshly isolated by nonenzymatic means. After trypsinization, confluent cultures dissociated into individual cells, but these cells showed poor retinoid metabolism, including no detectable retinyl esters or 11- cis -retinoid isomers. (PMID: 10375454). Cis-11-retinol is produce from vitamin A cycle driven by interphotoreceptor retinoid binding protein(IRBP). cis-11-retinol is released from retinal pigment epithelium(RPE) membranes. (PMID: 10655150) D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D018977 - Micronutrients > D014815 - Vitamins
9-cis-Retinol
9-cis-retinol is a retinoid. Retinoids (vitamin A and its analogs) are essential dietary substances that are needed by mammals for reproduction, normal embryogenesis, growth, vision, and maintaining normal cellular differentiation and the integrity of the immune system. Within cells, retinoids regulate gene transcription acting through ligand-dependent transcription factors, the retinoic acid receptors (RARs), and the retinoid X receptors (RXRs). All-trans-retinoic acid binds only to RARs with high affinity, whereas its 9-cis isomer binds with high affinity to both RARs and RXRs. The actions of all-trans- and 9-cis-retinoic acid in regulating cellular responses are distinct and not interchangeable. (PMID: 9115228). Constituent of cod liver oil
16b-Hydroxyestrone
16b-Hydroxyestrone is an aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from androstenedione directly, or from testosterone via estradiol. In humans, it is produced primarily by the cyclic ovaries, placenta, and the adipose tissue of men and postmenopausal women. An aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from androstenedione directly, or from testosterone via estradiol. In humans, it is produced primarily by the cyclic ovaries, placenta, and the adipose tissue of men and postmenopausal women. [HMDB] C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate belongs to the family of Isooctanes. These are organic compounds containing an acyclic 2,2,4-trimethylpentane moiety.
16-Hydroxy-10-oxohexadecanoic acid
16-Hydroxy-10-oxohexadecanoic acid is found in citrus. 16-Hydroxy-10-oxohexadecanoic acid is a constituent of the fruit cutin of lemon Citrus limon. Constituent of the fruit cutin of lemon Citrus limon. 16-Hydroxy-10-oxohexadecanoic acid is found in citrus.
Citronellyl cinnamate
Citronellyl cinnamate is used in food flavouring. It is used in food flavouring
4-Hydroxyestrone
4-Hydroxyestrone is metabolite originating from 17beta-estradiol, and is reported as carcinogenic and have ability to initiate cancer. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A human metabolite taken as a putative food compound of mammalian origin [HMDB] 4-Hydroxyestrone (4-OHE1), an estrone metabolite, has strong neuroprotective effect against oxidative neurotoxicity. 4-Hydroxyestrone increases cytoplasmic translocation of p53 resulting from SIRT1-mediated deacetylation of p53. 4-Hydroxyestrone has little estrogenic activity[1].
17beta-Estradiol-2,3-quinone
This compound belongs to the family of Ketosteroids. These are steroid derivatives.
17beta-Estradiol-3,4-quinone
This compound belongs to the family of Ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.
10-alpha-methoxy-9,10-dihydrolysergol
10-alpha-methoxy-9,10-dihydrolysergol is a metabolite of nicergoline. Nicergoline (marketed under the trade name Sermion) is an ergot derivative used to treat senile dementia and other disorders with vascular origins. It has been found to increase mental agility and enhance clarity and perception. It decreases vascular resistance and increases arterial blood flow in the brain, improving the utilization of oxygen and glucose by brain cells. It has similar vasoactive properties in other areas of the body, particularly the lungs. (Wikipedia)
Isooctanedioldibutyrate
Isooctanedioldibutyrate belongs to the class of organic compounds known as fatty acid esters. These compounds are carboxylic ester derivatives of a fatty acid. Isooctanedioldibutyrate is an extremely weak basic (essentially neutral) compound (based on its pKa). Isooctanedioldibutyrate has been detected in human saliva.
Thonzylamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Thonzylamine is a first-generation ethylenediamine H1-antihistamine. Thonzylamine is an orally active H1 histamine receptor antagonist, exhibits good antihistaminic and antianaphylactic properties. Thonzylamine can be used for the research of hypersensitivity diseases, nasal congestion, allergic conjunctivitis and other allergic diseases[1][2].
1,3,5[10]-Estratriene-3,4-diol-17-one
17alpha-Methylestradiol
3beta-Hydroxy-5,7-androstadien-17-one
6-Ketoestradiol
(8R,9R,10R,13S,14S)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
A delta-4 19-carbon steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. It is the common precursor of male and female sex hormones. Some androstenedione is also secreted into the plasma, and may be converted in peripheral tissues to testosterone and estrogens. Androstenedione originates either from the conversion of dehydroepiandrosterone or from 17-hydroxyprogesterone. It is further converted to either testosterone or estrone. The production of adrenal androstenedione is governed by ACTH, while production of gonadal androstenedione is under control by gonadotropins. [HMDB]
1,3-Dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
(8R,9R,10R,13S,14S)-10,13-Dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
3-(2-Butynyl)-5-methyl-2-(piperazin-1-yl)-3,5-dihydroimidazo[4,5-d]pyridazin-4-one
5-androstene-3,17-dione
5-androstene-3,17-dione 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. 5-androstene-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-androstene-3,17-dione can be found in a number of food items such as taro, red raspberry, calabash, and garland chrysanthemum, which makes 5-androstene-3,17-dione a potential biomarker for the consumption of these food products.
Methyl 2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-chromene-6-carboxylate
1-[8-(3-Hydroxy-3-methyl-1-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-ethanon
17-hydroxy-19-norisopimara-4(18),8(14),15-trien-7-one
(+)-18-hydroxyestrone|10-Hydroxy-oestron|3,18-dihydroxy-estra-1,3,5(10)-trien-17-one|3,18-Dihydroxy-oestra-1,3,5(10)-trien-17-on
(6Z)-5-(12-Cyano-6-dodecenyl)pyrrole-2-carboxaldehyde|(Z)-5-(12-Cyano-6-dodecenyl)-2-pyrrolecarboxaldehyde
3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one|3??,12-Dihydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one
2-Methylpropanoyl-(E,E)-1-Hydroxy-6,12-tetradecadiene-8,10-diyn-3-one
Me ester-(all-E)-3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid
5-acetyl-2-(2-hydroxyisopropyl)-7-(3,3-dimethylallyl)-benzofuran|5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran
(+)-(1R)-1,12-dihydroxy-20-norabieta-5(10),8,11,13-tetraene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(4aRS,9SR,10aSR)-1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-2H-9,4a-(epoxymethano)phenanthrene-7-carboxaldehyde|przewalskin F
1,2-dihydroheudelotinol|3beta,12-dihydroxy-9(10->20)-abeo-16,17-dinor-abieta-8,10(20),11,13-tetraene
Epi-cryptoacetalide
Epi-Cryptoacetalide is a natural product found in Salvia miltiorrhiza with data available.
20-nor-8(9),15-isopimaradien-7,11-dione|20-Nor-8,15-isopimaradiene-7,11-dione
(-)-(5R,10S)-12-hydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
1,10:4,5-Diepoxy-6,11-germacranediol-(1R,4R,5R,6R,10R)-form-14-Hydroyx
(+)-(1R*,10R*)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide
5alpha,6alpha-epoxy-12-hydroxy-13-methyl-8,11,13-podocarpatrien-7-one|crossogumerin B
2,6-deoxyfructosazine|2-(1,2,3,4-tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine
3alpha-hydroxy-12-methoxy-13-methyl-ent-podocarp-6,8,11,13-tetraene
15-hydroxy-16-norabieta-8,11,13-trien-3-one|euolutchuol C
2,3-dihydroxy-18-norrosa-1(10),2,4,15-tetraene|euphebracteolatin A|rel-(4bR,7R,8aR)-7-ethenyl-4b,5,6,7,8,8a,9,10-octahydro-1,4b,7-trimethylphenanthrene-2,3-diol
(3S,5R,6R,7E,9R)-5,6,9-trihydroxy-3-isopropyloxy-7-megastigmene
14-hydroxy-13-methoxy-1,8,11,13-podocarpatetraen-3-one
(2alpha,4beta,6alpha,8alpha,9alpha,10alpha)-8,9-Epoxy-2,4,6,10-daucanetetrol
cannabidiol propyl analogue|CBD-V|Delta9-Tetrahydrocannabivarin
(E)-15,16-dihydrominquartynoic acid|(S)-(E)-15,16-dihydrominquartynoic acid|(S)-17-hydroxy-15E-octadecen-9,11,13-triynoic acid
Methyl 2-methyl-4-[2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl]-2-butenoate
1-acetoxy-heptadeca-8t,10t-diene-4,6-diyne|2,3-Dihydrooenanthetolacetat
7-((E)-3,7-dimethylocta-2,6-dienyl)-5-hydroxybenzofuran-2(3H)-one|7-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-3H-benzofuran-2-one|denudalide|lettowienolide
(2R,5S,1S)-form-Tetrahydro-5-(1-hydroxyheptyl)heptanoic acid,
(12-ethyl-2-methyl-2,3,4,5,6,6a,7,11b-octahydro-1H-1,5-methano-azocino[4,3-b]indol-6-yl)-methanol|(8,16-dihydro-dasycarpidan-1-yl)-methanol|1,13-Dihydro-13-hydroxyuleine
3-oxo-16,19-norisopimara-4,6-dien-8alpha,15alpha-olide|trogopteroid A
1-[5-acetyl-2-hydroxy-3-(3-methyl-2-butenyl)phenyl]-3-methyl-2-buten-1-one
Lettowienolide
Lettowienolide is a natural product found in Lettowianthus stellatus and Magnolia denudata with data available.
Androstenedione
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Origin: Animal; SubCategory_DNP: The sterols, Androstanes CONFIDENCE standard compound; INTERNAL_ID 8732 INTERNAL_ID 8732; CONFIDENCE standard compound Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
8-(4-Methoxy-2,3,6-trimethyl-phenyl)-6-methyl-octa-3,5-dien-2-one
2-hydroxyestrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
HEXADECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is the 1,14-dicarboxy derivative of tetradecane. Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples. Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples.
4-hydroxyestrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. 4-Hydroxyestrone (4-OHE1), an estrone metabolite, has strong neuroprotective effect against oxidative neurotoxicity. 4-Hydroxyestrone increases cytoplasmic translocation of p53 resulting from SIRT1-mediated deacetylation of p53. 4-Hydroxyestrone has little estrogenic activity[1].
methyl (E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-enoate
6-dehydrotestosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
15:6(2Z,4E,6Z,8E,12E,14)(6Me,8Me,10Me[S],13Me)
16-Hydroxy-10-oxohexadecanoic acid
An omega-hydroxy-long-chain fatty acid that is hexadecanoic acid substituted by an oxo group at position 10 and by a hydroxy group at position 16.
Thaspic acid
Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples. Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples.
ST 18:4;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 4-Hydroxyestrone (4-OHE1), an estrone metabolite, has strong neuroprotective effect against oxidative neurotoxicity. 4-Hydroxyestrone increases cytoplasmic translocation of p53 resulting from SIRT1-mediated deacetylation of p53. 4-Hydroxyestrone has little estrogenic activity[1].
ST 19:3;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
tert-butyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
2-(1-PROPYL-4-PIPERIDINYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE
thenalidine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
hydroxy-2-oxoethyl]butyl]-,1,1-dimethylethyl ester
5-NORBORNENE-2-CARBOXYLIC 2-METHYL-2-ADAMANTYL ESTER
3-(3-BOC-AMINO-PYRROLIDIN-1-YL)-2-METHYL-PROPIONICACIDMETHYLESTER
1H-Indole-7-carboxamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Ethanone, 1-[9-(phenylmethyl)-3,9-diazaspiro[5.5]undec-3-yl]
1-Androstenedione
1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-1-yl)ethanone
1-Boc-2-(2-Methoxy-2-oxoethylcarbamoyl)pyrrolidine
6Beta-hydroxyestrone
A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 6.
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxamide
(3AR,4S,5R,6AS)-4-(HYDROXYMETHYL)-5-((TRIETHYLSILYL)OXY)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
ETHYL 1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLATE
1-Boc-4-[(N-methoxy-N-methylcarbamoyl)methyl]piperidine
4-(3-CARBOXY-PROPIONYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-PYRROLIDIN-2-YL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
8-Benzyl-2-ethyl-2,8-diazaspiro[4.5]decane-1,3-dione
ETHYL 4-((TERT-BUTYLDIMETHYLSILYL)OXY)CYCLOHEXANECARBOXYLATE
5-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]-1H-tetr azole
Linogliride
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate
2,4-DI(TERT-BUTOXY)PYRIMIDIN-5-YLBORONIC ACID HYDRATE
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-N-cyclopentyl-acetamide
Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methyloxirane
1-BOC-2-[(3-METHOXY-PROPYLAMINO)-METHYL]-PIPERIDINE
1-Piperazinepropanoicacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-methyl-, methyl ester
(2S,5S)-1-((S)-2-METHOXYCARBONYLAMINO)-3-METHYLBUTYRYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate acetate
2-ETHOXYCARBONYLMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-((1R,3s,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-yl)isobutyramide
3,4-dimethyl-2,6-dinitro-N-(2,2,3,4,4-pentadeuteriopentan-3-yl)aniline
3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (2,4-dimethylphenyl)methylester
2-(4-Cyclohexylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-(NAPHTHALEN-2-YLOXY)-3-PIPERAZIN-1-YL-PROPAN-2-OL
Fenpipalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
2-[(4-Methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium
{3-carboxy-2-[(2E)-oct-2-enoyloxy]propyl}trimethylazanium
15alpha-Hydroxyestrone
A 17-oxo steroid that is estrone substituted by an alpha-hydroxy group at position 15.
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide
(3S)-1-Cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
[R,(+)]-beta-Ethyl-alpha,alpha-dimethyl-6-methoxy-2-naphthalenepropionic acid
Thonzylamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Thonzylamine is an orally active H1 histamine receptor antagonist, exhibits good antihistaminic and antianaphylactic properties. Thonzylamine can be used for the research of hypersensitivity diseases, nasal congestion, allergic conjunctivitis and other allergic diseases[1][2].
Thapsic acid
Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples. Hexadecanedioic acid is covalently linked to Sepharose 4B, shows better performance in terms of specificity than dye-based resins and could be used for depletion of SA from plasma samples.
2-[(1S,6S)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-propyl-benzene-1,3-diol
(8R,9R,10R,13S,14S)-10,13-Dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
1,3-Dimethoxy-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene
(4R)-4-[(1R)-2,4-dihydroxy-1,4-dimethylcyclohexyl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol
3-(2-Butynyl)-5-methyl-2-(piperazin-1-yl)-3,5-dihydroimidazo[4,5-d]pyridazin-4-one
[3-carboxy-2-[(E)-oct-4-enoyl]oxypropyl]-trimethylazanium
[(2S)-3-carboxy-2-[(E)-oct-2-enoyl]oxypropyl]-trimethylazanium
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxodec-4-enyl]-trimethylazanium
[3-carboxy-2-[(E)-oct-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-oct-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-oct-5-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(2-propylpent-4-enoyloxy)propyl]-trimethylazanium
[3-carboxy-2-[(E)-2-propylpent-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-2-propylpent-3-enoyl]oxypropyl]-trimethylazanium
2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)
A diester obtained by the formal condensation of 2,4,4-trimethylpentane-1,3-diol with two molecules of 2-methylpropanoic acid. Metabolite observed in cancer metabolism.
6alpha-Hydroxyestrone
A 6alpha-hydroxy steroid that is estrone substituted by an alpha-hydroxy group at position 6. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
methyl (E)-8,10-dihydroxy-2,4,6,8-tetramethylundec-2-enoate
Estrololactone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3beta,12-Dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one
A diterpenoid that is podocarpa-5,8,11,13-tetraen-7-one substituted by hydroxy groups at positions 3 and 12 and a methyl group at position 13 (the 3beta stereoisomer). Isolated from Securinega suffruticosa, it exhibits antineoplastic activity.
1-(1-Benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol
(2S)-2-(methylazaniumyl)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
[(1S,4R)-4-[2-amino-6-(azetidin-1-yl)purin-9-yl]cyclopent-2-en-1-yl]methanol
1-(3,4-Dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-pyridinyl)ethanamine
[(2R)-3-carboxy-2-[(E)-oct-2-enoyl]oxypropyl]-trimethylazanium
[(1S)-3-carboxy-1-[(E)-oct-2-enoyl]oxypropyl]-trimethylazanium
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoic acid
(3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one
1-Methoxy-4-[1-[1-(4-methoxyphenyl)ethoxy]ethyl]benzene
Methyl (3R)-3-(tert-butyldimethylsiloxy)-6-methyl-6-heptenoate
Abacavir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
16α-Hydroxyestrone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones The 16alpha-hydroxy derivative of estrone; a minor estrogen metabolite.
5-Androstenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-(3-methylbut-2-enyl)-L-abrine
A methy-amino acid that is L-tryptophan substituted at the N(alpha)-position by a methyl group and at the 4-position by a 3-methylbut-2-enyl group.
16beta-Hydroxyestrone
A 3-hydroxy steroid that is estrone substituted by a beta-hydroxy group at position 16.
6,8,10S,13-tetramethyl-2Z,4E,6Z,8E,12E,14E-pentadecahexaenoic acid
androst-4-ene-3,17-dione
A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.
5alpha-Androst-1-ene-3,17-dione
A 3-oxo Delta(1)-steroid that is androst-1-ene substituted by oxo groups at positions 3 and 17.
4-(3-methylbut-2-enyl)-L-abrine zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-(3-methylbut-2-enyl)-L-abrine.
actinopolysporin B
A natural product found in Actinopolyspora erythraea YIM 90600.
[2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
Trimethylmethylpropanoyloxypentyl methylpropanoate
2,4,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl 2-methylpropanoate
3-(3,5-dimethylhepta-1,3-dien-1-yl)-8-hydroxy-3,4-dihydro-2-benzopyran-1-one
(2e,4e)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
1-(dimethylamino)-13-ethenyl-11-(hydroxymethyl)-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol
(3e,5e,7e)-10-(4-hydroxyphenyl)deca-3,5,7-trien-1-yl acetate
ethyl 2-(6-butyl-4,6-diethyl-1,2-dioxan-3-yl)acetate
(11r,13r,14r)-6,12,12,14-tetramethyltricyclo[9.4.0.0³,⁸]pentadeca-1,3(8),4,6-tetraene-5,13-diol
(2e)-3-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-en-1-ol
(4as,7s)-7-ethenyl-4a-hydroxy-1,1,7-trimethyl-2,3,4,5,6,8-hexahydrophenanthren-9-one
4-amino-3-[(2z)-3,6,7-trimethylocta-2,6-dien-1-yl]benzamide
3-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)prop-2-en-1-ol
2-methyl-n-[(2s)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanimidic acid
(3r,4ar,10ar,11ar,11br)-3,8,11b-trimethyl-1h,2h,3h,4h,4ah,5h,6h,10ah,11h,11ah-phenanthro[3,2-b]furan-9-one
4,9-dihydroxy-10-(4-hydroxypentyl)-3-methyl-3,4,7,8,9,10-hexahydrooxecin-2-one
(2e)-5-(6-methoxy-2,8-dimethylchromen-2-yl)-2-methylpent-2-enal
1-[(4br,8ar)-4-hydroxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethanone
(1s,2r,5r,6s,7r,8r)-6,7-dihydroxy-5-methyl-2-pentyl-3,11-dioxabicyclo[6.2.1]undecan-4-one
6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
(6r,9e)-11-methoxy-3,7,11-trimethyldodeca-1,9-diene-3,6,7-triol
(2e,4e)-5-[(5r,6s,8s)-5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
ethyl 2-[(3s,4r,6r)-6-butyl-4,6-diethyl-1,2-dioxan-3-yl]acetate
1-[2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-en-1-yl)-1-benzofuran-5-yl]ethanone
7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-3h-1-benzofuran-2-one
3β,12-dihydroxy-13-methyl-5,8,11,13-podocar-patetraen-7-one
{"Ingredient_id": "HBIN008009","Ingredient_name": "3\u03b2,12-dihydroxy-13-methyl-5,8,11,13-podocar-patetraen-7-one","Alias": "NA","Ingredient_formula": "C18H22O3","Ingredient_Smile": "CC1=C(C=C2C(=C1)C(=O)C=C3C2(CCC(C3(C)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6044","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r,6r,7 e,9r)-5,6,9-trihydroxy-3-isopropyl-oxy-7-megastigmene
{"Ingredient_id": "HBIN009649","Ingredient_name": "(3s,5r,6r,7 e,9r)-5,6,9-trihydroxy-3-isopropyl-oxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C16H30O4","Ingredient_Smile": "CC(C)OC1CC(C(C(C1)(C)O)(C=CC(C)O)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21737","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
