Exact Mass: 288.2525132
Exact Mass Matches: 288.2525132
Found 500 metabolites which its exact mass value is equals to given mass value 288.2525132,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dehydroepiandrosterone
Dehydroepiandrosterone (DHEA) is a natural steroid hormone produced from cholesterol by the adrenal glands. DHEA is also produced in the gonads, adipose tissue and the brain. DHEA is structurally similar to, and is a precursor of, androstenedione, testosterone, estradiol, estrone and estrogen. It is the most abundant hormone in the human body. Most of DHEA is sulfated (dehydroepiandrosterone sulfate- DEHAS) before secretion. DHEAS is the sulfated version of DHEA; - this conversion is reversibly catalyzed by sulfotransferase (SULT2A1) primarily in the adrenals, the liver, and small intestines. In blood, most DHEA is found as DHEAS with levels that are about 300 times higher than free DHEA. Blood measurements of DHEAS/DHEA are useful to detect excess adrenal activity as seen in adrenal cancer or hyperplasia, including certain forms of congenital adrenal hyperplasia. Women with polycystic ovary syndrome tend to have normal or mildly elevated levels of DHEAS. [HMDB]. Dehydroepiandrosterone is found in many foods, some of which are summer grape, quinoa, calabash, and chinese chives. Dehydroepiandrosterone (DHEA) is a natural steroid hormone produced from cholesterol by the adrenal glands. DHEA is also produced in the gonads, adipose tissue, and the brain. DHEA is structurally similar to and is a precursor of, androstenedione, testosterone, estradiol, estrone, and estrogen. It is the most abundant hormone in the human body. Most of DHEA is sulfated (dehydroepiandrosterone sulfate or DHEA-S) before secretion. DHEA-S is the sulfated version of DHEA; this conversion is reversibly catalyzed by sulfotransferase (SULT2A1) primarily in the adrenals, the liver, and small intestines. In blood, most DHEA is found as DHEA-S with levels that are about 300 times higher than free DHEA. Blood measurements of DHEA-S/DHEA are useful to detect excess adrenal activity as seen in adrenal cancer or hyperplasia, including certain forms of congenital adrenal hyperplasia. Women with polycystic ovary syndrome tend to have normal or mildly elevated levels of DHEA-S. A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AA - Androstan derivatives G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; EAWAG_UCHEM_ID 3085 D007155 - Immunologic Factors
Testosterone
Testosterone is the primary male sex hormone and anabolic steroid from the androstane class of steroids. It is the most important androgen in potency and quantity for vertebrates. In humans, testosterone plays a key role in the development of male reproductive tissues such as testes and prostate, as well as promoting secondary sexual characteristics such as increased muscle and bone mass, and the growth of body hair. In addition, testosterone is involved in health and well-being, and the prevention of osteoporosis. Testosterone exerts its action through binding to and activation of the androgen receptor. In mammals, testosterone is metabolized mainly in the liver. Approximately 50\\% of testosterone is metabolized via conjugation into testosterone glucuronide and to a lesser extent testosterone sulfate by glucuronosyltransferases and sulfotransferases. An additional 40\\% of testosterone is metabolized in equal proportions into the 17-ketosteroids androsterone and etiocholanolone via the combined actions of 5alpha- and 5beta-reductases, 3alpha-hydroxysteroid dehydrogenase, and 17beta-HSD. Like other steroid hormones, testosterone is derived from cholesterol. The first step in the biosynthesis of testosterone involves the oxidative cleavage of the side-chain of cholesterol by the cholesterol side-chain cleavage enzyme (P450scc, CYP11A1) to give pregnenolone. In the next step, two additional carbon atoms are removed by the CYP17A1 (17alpha-hydroxylase/17,20-lyase) enzyme to yield a variety of C19 steroids. In addition, the 3beta-hydroxyl group is oxidized by 3beta-hydroxysteroid dehydrogenase to produce androstenedione. In the final and rate limiting step, the C17 keto group androstenedione is reduced by 17beta-hydroxysteroid hydrogenase to yield testosterone. Testosterone is synthesized and released by the Leydig cells in the testes that lie between the tubules and comprise less than 5\\% of the total testicular volume. Testosterone diffuses into the seminiferous tubules where it is essential for maintaining spermatogenesis. Some testosterone binds to an androgen-binding protein (ABP) that is produced by the Sertoli cells and is homologous to the sex-hormone binding globulin that transports testosterone in the general circulation. The ABP carries testosterone in the testicular fluid where it maintains the activity of the accessory sex glands and may also help to retain testosterone within the tubule and bind excess free hormone. Some testosterone is converted to estradiol by Sertoli cell-derived aromatase enzyme. Leydig cell steroidogenesis is controlled primarily by luteinizing hormone with negative feedback of testosterone on the hypothalamic-pituitary axis. The requirement of spermatogenesis for high local concentrations of testosterone means that loss of androgen production is likely to be accompanied by loss of spermatogenesis. Indeed, if testicular androgen production is inhibited by the administration of exogenous androgens then spermatogenesis ceases. This is the basis of using exogenous testosterone as a male contraceptive. The largest amounts of testosterone (>95\\%) are produced by the testes in men, while the adrenal glands account for most of the remainder. Testosterone is also synthesized in far smaller total quantities in women by the adrenal glands, thecal cells of the ovaries, and, during pregnancy, by the placenta. Testosterone levels fall by about 1\\% each year in men. Therefore, with increasing longevity and the aging of the population, the number of older men with testosterone deficiency will increase substantially over the next several decades. Serum testosterone levels decrease progressively in aging men, but the rate and magnitude of decrease vary considerably. Approximately 1\\% of healthy young men have total serum testosterone levels below normal; in contrast, approximately 20\\% of healthy men over age 60 years have serum testosterone levels below normal. (PMID: 17904450, 17875487). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03B - Androgens > G03BA - 3-oxoandrosten (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Bupivacaine
Bupivacaine is only found in individuals that have used or taken this drug. It is a widely used local anesthetic agent. [PubChem]Bupivacaine blocks the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. Bupivacaine binds to the intracellular portion of sodium channels and blocks sodium influx into nerve cells, which prevents depolarization. In general, the progression of anesthesia is related to the diameter, myelination and conduction velocity of affected nerve fibers. Clinically, the order of loss of nerve function is as follows: (1) pain, (2) temperature, (3) touch, (4) proprioception, and (5) skeletal muscle tone. The analgesic effects of Bupivicaine are thought to potentially be due to its binding to the prostaglandin E2 receptors, subtype EP1 (PGE2EP1), which inhibits the production of prostaglandins, thereby reducing fever, inflammation, and hyperalgesia. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3305 Bupivacaine is a NMDA receptor inhibitor. Bupivacaine can block sodium, L-calcium, and potassium channels.Bupivacaine potently blocks SCN5A channels with the IC50 of 69.5 μM. Bupivacaine can be used for the research of chronic pain[1][2][3].
Androstanedione
Androstanedione belongs to the class of organic compounds known as androgens and derivatives. These 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, androstanedione is considered to be a steroid lipid molecule. Androstanedione is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Androstanedione is a steroid metabolite and a procursor of both testosterone and estrone. It is a product of enzyme 3alpha-hydroxysteroid dehydrogenase [EC 1.1.1.50] in pathway Androgen and estrogen metabolism (KEGG). [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
All-trans-13,14-dihydroretinol
All-trans-13,14-dihydroretinol is involved in the retinol metabolism pathway. In this pathway, all-trans-13,14-dihydroretinol and an acceptor molecule is reversibly converted to retinol (vitamin A) plus reduced acceptor via the enzyme all-trans-retinol 13,14-reductase (EC 1.3.99.23). (KEGG) [HMDB] All-trans-13,14-dihydroretinol is involved in the retinol metabolism pathway. In this pathway, all-trans-13,14-dihydroretinol and an acceptor molecule is reversibly converted to retinol (vitamin A) plus reduced acceptor via the enzyme all-trans-retinol 13,14-reductase (EC 1.3.99.23). (KEGG). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
pregnane
(S)-10,16-Dihydroxyhexadecanoic acid
10,16-dihydroxyhexadecanoic acid, also known as 10,16-dhha, 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. Thus, 10,16-dihydroxyhexadecanoic acid is considered to be a fatty acid lipid molecule. 10,16-dihydroxyhexadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 10,16-dihydroxyhexadecanoic acid can be found in garden tomato (variety) and gooseberry, which makes 10,16-dihydroxyhexadecanoic acid a potential biomarker for the consumption of these food products. (S)-10,16-Dihydroxyhexadecanoic acid is found in garden tomato. (S)-10,16-Dihydroxyhexadecanoic acid is a constituent of numerous plant cutins including apple and tomato.
Candol B
Candol B, also known as 4beta-kaur-16-en-19-ol, belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by the cyclization of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Candol B is an extremely weak basic (essentially neutral) compound (based on its pKa). Candol B is found in cereals and cereal products. Candol B is a constituent of barley. Constituent of barley. Candol B is found in cereals and cereal products.
Abietinol
Abietinol is isolated from Pinus sylvestris (Scotch pine
levopimarol
4-Dihydroboldenone
4-Dihydroboldenone is a metabolite of boldenone. Boldenone is an androgenic anabolic steroid (AAS) intensively used for growth promoting purposes in animals destined for meat production and as a performance enhancer in athletics. Therefore its use is officially banned either in animals intended for consumption or in humans. Because most anabolic steroids are completely metabolized and usually no parent steroid is excreted, metabolite identification is crucial to detect the illegal use of anabolic steroids either in humans or in livestock. Androgenic anabolic steroids are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. (PMID: 2663904, 16195040, 16292586, 1663826, 16799097, 16888758, 16923823, 9249887) [HMDB] 4-Dihydroboldenone is a metabolite of boldenone. Boldenone is an androgenic anabolic steroid (AAS) intensively used for growth-promoting purposes in animals destined for meat production and as a performance enhancer in athletics. Therefore, its use is officially banned in both humans and in animals intended for human consumption. Because most anabolic steroids are completely metabolized and usually no parent steroid is excreted, metabolite identification is crucial to detect the illegal use of anabolic steroids either in humans or in livestock. Androgenic anabolic steroids are defined as natural, synthetic, or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic, and neuroendocrine systems, the AAS has been extensively used in sports activities (PMID: 2663904, 16195040, 16292586, 1663826, 16799097, 16888758, 16923823, 9249887). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Isopimarol
Etiocholanedione
Etiocholanedione is a 5-beta metabolite product of the catabolism of androgens. Etiocholanedione has been identified as a ketosteroid and isolated from the urine of healthy and diseased persons. Etiocholanedione has been identified as a metabolite of an altered androgen metabolism that eventually leads hepatocellular carcinoma to impaired hormone responsiveness in human. Etiocholanedione has been identified as a metabolite of 17alpha-hydroxyprogesterone in some patients affected by congenital adrenal hyperplasia, although it doesnt appear to account for the masculinization observed in congenital hyperplasia. Etiocholanedione can be the product of microbial contamination of urine since a few organisms are able to synthesize it using endogenous steroids as substrates. Human axillary bacteria are able to produce small amounts of etiocholanedione from testosterone. (PMID: 12161001, 13795320, 11161304, 2026727). Etiocholanedione has been found to be a metabolite of Corynebacterium (PMID: 11161304). Etiocholanedione is a 5-beta metabolite product of the catabolism of androgens. Etiocholanedione has been identified as a ketosteroid and isolated from the urine of healthy and diseased persons. Etiocholanedione has been identified as a metabolite of an altered androgen metabolism that eventually leads hepatocellular carcinoma to impaired hormone responsiveness in human. Etiocholanedione has been identified as a metabolite of 17alpha-hydroxyprogesterone in some patients affected by congenital adrenal hyperplasia, although it doesnt appear to account for the masculinization observed in congenital hyperplasia. Etiocholanedione can be the product of microbial contamination of urine since a few organisms are able to synthesize it using endogenous steroids as substrates. Human axillary bacteria are able to produce small amounts of etiocholanedione from testosterone. (PMID: 12161001, 13795320, 11161304, 2026727) [HMDB]
Levobupivacaine
Levobupivacaine is an amino-amide local anaesthetic drug belonging to the family of n-alkylsubstituted. pipecoloxylidide. It is the S-enantiomer of bupivacaine. Levobupivacaine hydrochloride is commonly marketed by AstraZeneca under the trade name Chirocaine. Compared to bupivacaine, levobupivacaine is associated with less vasodilation and has a longer duration of action. It is approximately 13 per cent less potent (by molarity) than racemic bupivacaine.Levobupivacaine is indicated for local anaesthesia including infiltration, nerve block, ophthalmic, epidural and intrathecal anaesthesia in adults; and infiltration analgesia in children. Adverse drug reactions (ADRs) are rare when it is administered correctly. Most ADRs relate to administration technique (resulting in systemic exposure) or pharmacological effects of anesthesia, however allergic reactions can rarely occur. [Wikipedia] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
ent-cassa-12,15-dien-2beta-ol
A diterpenoid that is ent-cassa-12,15-diene in which the hydrogen at position 2beta has been replaced by a hydroxy group.
9beta-Pimara-7,15-diene-3beta-ol
A pimarane diterpenoid in which the hydrogen at position 3beta has been replaced by a hydroxy group.
Pentadecylbenzene
Pentadecylbenzene is found in mollusks. Pentadecylbenzene is a constituent of the mussel (Mytilus galloprovincialis). Constituent of the mussel (Mytilus galloprovincialis). Pentadecylbenzene is found in mollusks.
Epitestosterone
Epitestosterone, or isotestosterone, also known as 17alpha-testosterone or as androst-4-en-17alpha-ol-3-one belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. Epitestosterone is an endogenous steroid and a C-17 epimer of the androgen sex hormone testosterone. It is a weak competitive antagonist of the androgen receptor (AR) and a potent 5alpha-reductase inhibitor. Structurally, epitestosterone differs from testosterone only in the configuration at the hydroxy-bearing carbon, C17. Epitestosterone is believed to form in a similar way to testosterone with 50\\% of epitestosterone production in human males taking place in the testis. Epitestosterone levels are typically highest in young males; however, by adulthood, most healthy males exhibit a testosterone to epitestosterone ratio (T/E ratio) of about 1:1 (PMID: 11901061). A study of Australian athletes found that the mean T/E ratio in the study was 1.15:1. Another study found that the max T/E ratio for the 95th percentile of athletes was 3.71:1, and the max T/E ratio for the 99th percentile was 5.25:1. Epitestosterone has not been shown to enhance athletic performance, although administration of epistestosterone can be used to mask a high level of testosterone if the standard T/E ratio test is used. As such, epitestosterone is banned by many sporting authorities as a masking agent for testosterone. Interestingly, small amounts of ethanol can elevate T/E values, with women being more susceptible (PMID: 28671321). Testosterone is a steroid hormone from the androgen group and is found in mammals, reptiles, birds, and other vertebrates. In mammals, testosterone is primarily secreted in the testicles of males and the ovaries of females, although small amounts are also secreted by the adrenal glands. It is the principal male sex hormone and an anabolic steroid. [Wikipedia]. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Dehydroandrosterone
Dehydroandrosterone is a normal human androgen. It has been found dehydroandrosterone and other androgens excretion is affected by seasonal rhythms changes. In a study of patients with peptic ulcer in the stage of remission, their androgen levels were higher both in summer and winter, but in the spring their levels are higher in normal subjects. There is a high correlation between Dehydroandrosterone excretion and testosterone; this ratio is also used as an aid for a better discrimination between physiologically high and pharmacologically high ratios of testosterone in sports. (PMID: 3157236, 9001956, 10774538) [HMDB] Dehydroandrosterone is a normal human androgen. It has been found dehydroandrosterone and other androgens excretion is affected by seasonal rhythms changes. In a study of patients with peptic ulcer in the stage of remission, their androgen levels were higher both in summer and winter, but in the spring their levels are higher in normal subjects. There is a high correlation between Dehydroandrosterone excretion and testosterone; this ratio is also used as an aid for a better discrimination between physiologically high and pharmacologically high ratios of testosterone in sports. (PMID: 3157236, 9001956, 10774538).
alpha-Amylcinnamyl isovalerate
alpha-Amylcinnamyl isovalerate is a flavouring ingredien Flavouring ingredient
N(1),N(12)-diacetylsperminium(2+)
N(1),N(12)-diacetylsperminium(2+) is considered to be practically insoluble (in water) and relatively neutral
MG(a-13:0/0:0/0:0)[rac]
MG(a-13:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(a-13:0/0:0/0:0) is made up of one 10-methyldodecanoyl(R1).
MG(0:0/a-13:0/0:0)[rac]
MG(0:0/a-13:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(0:0/a-13:0/0:0) is made up of one 10-methyldodecanoyl(R2).
MG(13:0/0:0/0:0)
MG(13:0/0:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(13:0/0:0/0:0) is made up of one tridecanoyl(R1).
MG(0:0/13:0/0:0)
MG(0:0/13:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(0:0/13:0/0:0) is made up of one tridecanoyl(R2).
MG(0:0/i-13:0/0:0)
MG(0:0/i-13:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(0:0/i-13:0/0:0) is made up of one 11-methyldodecanoyl(R2).
5alpha-Pregnane
5beta-Pregnanediol is an endogenous human metabolite of testosterone. The 5beta-Pregnanediol excretion is low in women with suspected placental insufficiency and in women with uterine fibroma. 5beta-Pregnanediol levels can change in endocrine disturbances such as hirsutism or Cushings syndrome, depending on the stage of the disease. 5beta-Pregnanediol has been tried as a more reliable compound to measure in screening of urinary steroids when suspecting doping, due to its not significant isotopic fractionation that could lead to false positive results in anti-doping testing. 13C-enrichment caused by a diet change might be a reason of concern in athletes that move around between places and might have a considerable change of diet between competitions. In contrast to the results obtained with the carbon isotopic ratio, profiling of urinary testosterone/epitestosterone (T/E) ratios is found to be unaffected by a diet change. (PMID: 16338181, 5172227, 13636945, 14440289) [HMDB]
7A-Methyl-19-nortestosterone
Tedisamil
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-11,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
(8S,9R,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-dione
ent-16-Kauren-19-ol
ent-16-Kauren-19-ol, also known as ent-kaurenol or kaur-16-en-18-ol, belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. ent-16-Kauren-19-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).
abieta-7,13-dien-18-ol
Abietinol is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Abietinol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, abietinol is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
taxa-4(20),11-dien-5alpha-ol
Taxa-4(20),11-dien-5alpha-ol belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4(20),11-dien-5alpha-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Taxa-4(20),11-dien-5alpha-ol can be found in a number of food items such as chives, saffron, european plum, and oyster mushroom, which makes taxa-4(20),11-dien-5alpha-ol a potential biomarker for the consumption of these food products.
Elliotinol
Elliotinol is a natural product found in Fritillaria thunbergii, Chamaecyparis formosensis, and other organisms with data available.
(E,E,E)-3,7,11,15-Tetramethyl-1,6,10,13,15-hexadecapentaen-3-ol
Pipataline
A member of the class of benzodioxoles that is 1,3-benzodioxole in which the hydrogen at position 5 has been replaced by a dodec-1-en-1-yl group.
(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
taepeenin K|[dodecahydro-1,4b,8,8-tetramethylphenanthren-2(1H)-ylidene]acetaldehyde
18-Hydroxy-cyclokauran|ent-trachyloban-18-ol|Trachylobanol
(1E,3E,7E,10E)-12-hydroxy-1,3,7,10-cembratetraene (alcyonol-A)
amanicadol|rel-(5S,9R,10S,11R,13R)-11-alpha-hydroxypimara-8(14),15-diene
(+)-11,12-epoxycembrene|(1E,3E,7E)-11,12-epoxycembra-1,3,7-triene
(1E,3E,7E)-11-hydroxy-1,3,7,12(20)-cembratetraene (alcyonol-C)
(1R,3R,7E,11S,12R)-dolabella-4(16),7,18-trien-3-ol
(+)-stoechospermol|13,17-Spatadien-5-ol|5(R)-hydroxyspata-13,17-diene
7alpha-hydroxyisopimar-8,15-diene|Isopimara-8(14),15-dien-7alpha-ol
clerod-3,13(16),14-trien-17-ol|cleroda-3,13(16),14-trien-17-ol
1alpha-hydroxy-ent-isopimara-8(14),15-diene|1alpha-hydroxy-ent-sandaracopimara-8(14),15-diene
3beta-hydroxylabda-8(17),13(16),14-triene|3??-Hydroxy-labda-8(17),13(16),14-triene
(14R)-ent-Kaur-16-en-14-ol|ent-14alpha-hydroxykaurene|ent-16-kauren-14R-ol
(1alpha,9alpha)-2,12-Cyathadien-1-ol|cyanthiwigin C
(+)-fuscol|8,10,13(15),16-Lobatetraen-18-ol|fuscol
16-hydroxy-1(R),11(S),12(R)-dolabell-4(E),8(E),18-triene
(16R)-ent-Kauran-15-one|ent-(16R)-Kauran-15-on|ent-(16S)-Kauran-15-on
(Z)-14(3-pyridinyl)-11-tetradecen-1-amine|Theonelladin A
14,15-Epoxy-3,11(18)-prenyleudesmadiene|2-((2R*,4aS*,*8aR*)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)-5,6-epoxy-6-methylhept-1-ene|2-<(2R*,4aS*,*8aR*)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl>-5,6-epoxy-6-methylhept-1-ene
(+)-sarcophytol-A|(+/-)-sarcophytol A|(1Z,3E,7E,11E,14S)-1,3,7,11-cembratetraene-14-ol|14-hydroxycembra-1,3,7,11-tetraene|reduced sarcophine|Sarcophytol A|Sarcophytol-A
(2S,5S,6S,10R)-5,9-dimethyl-2-[15-methyl-11(18),14-heptadien-11-yl]-1,2,3,4,5,6,7,10-octahydro-7-naphthalen-6-ol|gyrosanol A
(5alpha,8beta,9alpha,10beta,14alpha)-cleistantha-13(17),15-dien-3beta-ol|3-hydroxycleistantha-13(17),15-diene
19(4->3)abeo-8alpha,13(S)-epoxylabda-4(18),14-diene
(4alpha,9betaH,14beta)-1(15),17-Dolastadien-4-ol|4beta-Hydroxyclavulosa-1(15),17-dien
Diterpene mono-ol-B|ent-beyer-15-en-17-0l|ent-beyer-15-en-17-ol|Erythroxylol B|Stach-15-en-17-ol|Stachenol B, Stachen-17-ol
(1R*,2E,7S*,8S*,11S*,12R*)-7,8-epoxy-3,18-dolabelladiene
18-hydroxy-(1S*,11R*)-dolabella-3(E),7(E),12(E)-triene
1(15),8(19)-Trinervitadien-9beta-ol|9beta-hydroxy-1(15),8(19)-trinervitadiene|Trinerviol
(2S,5R,10R,13E)-6,8,11(18),13-lobatetraen-15-ol|gyrosanol B
(+)-(7S,8S)-7,8-epoxy-7,8-dihydrocembrene C|(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-(propan-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene
(1R*,4E,7R*,10E)-4,10-dimethyl-14-methylidene-7-(1-prop-1-en-2-yl)cyclotetradeca-4,10-dien-1-ol|(3E,11E)-cembra-3,8(19),11,15-tetraene-7alpha-ol
lobophytumin B
A diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 6-methyl-4-oxoheptan-2-yl group at position 1. It has been isolated from from the Hainan soft coral Lobophytum cristatum.
lobophytumin F
A diterpenoid isolated from the Hainan soft coral Lobophytum cristatum.
(3E,7E,11E,15E)-1-hydroxycembra-3,7,11,15-tetraene
(1R*,12R*,3E,7E,10E,11E)-12-hydroxycembra-3,7,10,15-tetraene
(1S,7R,8R,3E,11E)-7,8-epoxycembra-3,11,15(17)-triene|knightine
(1R,3E,7E,11S,12S)-17-hydroxy-3,7,18-dolabellatriene
(1R,3E,7S,8E,11S,12S)-7-hydroxy-3,8,18-dolabellatriene
(ent-12alpha)-15-Beyeren-12-ol|ent-beyer-15-en-12alpha-ol
(3alpha,8beta)-1,11-Trinervitadien-3-ol|3alpha-hydroxy-8beta-trinervita-1,11-diene
(3R)-ent-1(10),15-rosadien-3-ol|(3R)-ent-rosa-1(10),15-dien-3alpha-ol
(10xi,13(15)Z)-13(15),17-Spatadien-10-ol|13,17-Spatadien-10-ol|spata-13,17-dien-10-ol
(4E,7E,11E)-11-isopropyl-1,4,8-trimethyl-1,2,3,3a,6,9,10,12a-octahydrocyclopentacycloundecen-1-ol
(1R,3E,7E,11S,12S,14S)-14-hydroxy-3,7,18-dolabellatriene
A natural product found in Dilophus spiralis.
2,6-Dimethyl-10-(4-methyl-3-cyclohexenyl)-undeca-2E,6E,9E-trien-1-ol|Hellicallen-16-ol
3(S)-hydroxy-1(R),11(S),12(R)-dolabell-4(E),8(E),18-triene
6alpha-hydroxy-3,12E,14-clerodatriene|6??-Hydroxy-3,12E,14-clerodatriene
3alpha-hydroxy-7,16-secotrinervita-7,11,15(17)-triene
(8Z)-1(15),8(9)-trinervitadien-3alpha-ol|1(15),8(9)-trinervitadien-3alpha-ol|3alpha-hydroxy-1(15),8-trinervitadiene
3alpha-hydroxy-4(19),15-erythroxyladiene|givotin B
8(9),15-Isopimaradien-3??-ol|isopimara-8(9),15-dien-3beta-ol|isopimara-8,15-dien-3beta-ol
[(1R,5R,9S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methanol
bupivacaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent Bupivacaine is a NMDA receptor inhibitor. Bupivacaine can block sodium, L-calcium, and potassium channels.Bupivacaine potently blocks SCN5A channels with the IC50 of 69.5 μM. Bupivacaine can be used for the research of chronic pain[1][2][3].
3,7,11,15-tetramethyl-2E,6E,10E,14-hexadecatetraenal
isopimarinol
2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C18H29BO2 (288.22604839999997)
1-[(trans,trans)-4-Ethyl[1,1-bicyclohexyl]-4-yl]-4-fluorobenzene
Ethylestrenol
A - Alimentary tract and metabolism > A14 - Anabolic agents for systemic use > A14A - Anabolic steroids > A14AB - Estren derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Tetradcylthioacetic acid
C16H32O2S (288.21228920000004)
D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants
(2E,6E,10S,11E)-3,7,13-Trimethyl-10-(1-methylethyl)-2,6,11,13-tetradecatetraenal
(2S,4R,4aS,8aS)-Decahydro-4a,8,8-trimethyl-3-methylene-4-(3-methylene-4-pentenyl)-2-naphthalenol
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenal
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
All-trans-7,8-dihydroretinol
A retinoid obtained by formal hydrogenation across the 7,8-double bond of all-trans-retinol D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(1R,2S,4aS,8aR)-4a,8-dimethyl-2-(6-methylhept-5-en-2-yl)-2,3,4,8a-tetrahydro-1H-naphthalen-1-ol
3-Carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium
Tedisamil
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BD - Antiarrhythmics, class iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
taxa-4(20),11-dien-5alpha-ol
Taxa-4(20),11-dien-5alpha-ol belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4(20),11-dien-5alpha-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Taxa-4(20),11-dien-5alpha-ol can be found in a number of food items such as chives, saffron, european plum, and oyster mushroom, which makes taxa-4(20),11-dien-5alpha-ol a potential biomarker for the consumption of these food products. Taxa-4(20),11-dien-5α-ol belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4(20),11-dien-5α-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Taxa-4(20),11-dien-5α-ol can be found in a number of food items such as chives, saffron, european plum, and oyster mushroom, which makes taxa-4(20),11-dien-5α-ol a potential biomarker for the consumption of these food products.
2alpha-Hydroxy-ent-isokaurene
An ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries an alpha-configured hydroxy group at C-2.
[(1R,4aR,4bS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthren-1-yl]methanol
3-Carboxylato-2-(2-propylvaleryloxy)-N,N,N-trimethyl-1-propaneaminium
[3-Carboxy-2-(3-methylheptanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-methylheptanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-methylheptanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-methylheptanoyloxy)propyl]-trimethylazanium
(1S,4S,5S,12R,15S)-15-Isopropenyl-4,9,12-trimethyl-5-oxa-tricyclo[10.3.0.0(4,6)]pentadec-9-ene
A natural product found in Dilophus spiralis.
(1R,3S,5S,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene
15-Stachen-19-ol; Erythroxylol A; 15-Beyeren-19-ol
(1S,3S,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-ol
(2R,4aS,4bR,8S,8aR,10aS)-1,1,4a,8-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
2-methyl-6-[(1R,2E)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]heptan-4-one
(3R)-3,16-dihydroxypalmitic acid
A dihydroxy monocarboxylic acid that is juniperic acid (16-hydroxypalmitic acid, 16-hydroxyhexadecanoic acid) in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
(3R,15R)-3,15-dihydroxypalmitic acid
An (omega-1)-hydroxy fatty acid that is (15R)-15-hydroxypalmitic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
[(2S)-3-carboxy-2-octanoyloxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-octanoyloxypropyl]-dimethyl-(trideuteriomethyl)azanium
(1S,2Z,4Z,8E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
(1S,2E,4E,7E,10R,11E)-10Hydroxycembra-2,4,7,11-tetraene
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
(1S,2Z,4Z,8E,12Z)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,8,12-tetraen-1-ol
(1R,2E,6Z,10E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
(1R,2Z,6Z,10E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
(3E,7Z,11E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-ol
(1R,2E,6S,9Z,12E)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-ol
Levobupivacaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
abietol
13,14-dihydroretinol
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
3,16-dihydroxypalmitic acid
A dihydroxy monocarboxylic acid that consists of palmitic acid bearing two hydroxy substituents at positions 3 and 16.
3alpha-hydroxy-ent-sandaracopimaradiene
A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing an additional hydroxy substituent at the 3alpha-position.
N(1),N(12)-diacetylsperminium(2+)
Dication of N(1),N(12)-diacetylspermine.
MG(13:0)
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