Exact Mass: 318.1903
Exact Mass Matches: 318.1903
Found 500 metabolites which its exact mass value is equals to given mass value 318.1903,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Steviol
Steviol is an ent-kaurane diterpenoid that is 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid in which the hydrogen at position 13 has been replaced by a hydroxy group. It has a role as an antineoplastic agent. It is a tetracyclic diterpenoid, a tertiary allylic alcohol, a monocarboxylic acid, a bridged compound and an ent-kaurane diterpenoid. It is a conjugate acid of a steviol(1-). Steviol is a natural product found in Ceriops decandra, Cucurbita, and other organisms with data available. Steviol is found in fruits. Steviol is isolated from Cucurbita maxima Rebaudioside B, D, and E may also be present in minute quantities; however, it is suspected that rebaudioside B is a byproduct of the isolation technique. The two majority compounds stevioside and rebaudioside, primarily responsible for the sweet taste of stevia leaves, were first isolated by two French chemists in 1931. Isolated from Cucurbita maxima Steviol is a major metabolite of the sweetening compound stevioside. Steviol slows renal cyst growth by reducing AQP2 expression and promoting AQP2 degradation[1]. Steviol is a major metabolite of the sweetening compound stevioside. Steviol slows renal cyst growth by reducing AQP2 expression and promoting AQP2 degradation[1].
15-KETE
15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE. [HMDB] 15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE.
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is also known as 18-HEPE or 18(R)-Hydroxyeicosa-5Z,8Z,11E,14Z,16E-pentaenoate. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is an eicosanoid lipid molecule
Leukotriene A4
Leukotriene A4 (LTA4) is the first metabolite in the series of reactions leading to the synthesis of all leukotrienes. 5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to LTA4.The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. Leukotriene A4, an unstable epoxide, is hydrolyzed to leukotriene B4 or conjugated with glutathione to yield leukotriene C4 and its metabolites, leukotriene D4 and leukotriene E4. The leukotrienes participate in host defense reactions and pathophysiological conditions such as immediate hypersensitivity and inflammation. Recent studies also suggest a neuroendocrine role for leukotriene C4 in luteinizing hormone secretion. (PMID: 10591081, 2820055). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Leukotriene A4 (LTA4) is the first metabolite in the series of reactions leading to the synthesis of all leukotrienes. 5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to LTA4.The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. Leukotriene A4, an unstable epoxide, is hydrolyzed to leukotriene B4 or conjugated with glutathione to yield leukotriene C4 and its metabolites, leukotriene D4 and leukotriene E4. The leukotrienes participate in host defense reactions and pathophysiological conditions such as immediate hypersensitivity and inflammation. Recent studies also suggest a neuroendocrine role for leukotriene C4 in luteinizing hormone secretion. (PMID: 10591081, 2820055)
Theasaponin A4
4,5-lta4, also known as 4r,5r-ep 7t9t11c14c-20:4 or 4r,5r-epoxy-7e,9e,11z,14z-eicosatetraenoic acid, is a member of the class of compounds known as epoxy fatty acids. Epoxy fatty acids are fatty acids containing an oxirane ring as part of the aliphatic chain. Thus, 4,5-lta4 is considered to be an eicosanoid lipid molecule. 4,5-lta4 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4,5-lta4 can be found in tea, which makes 4,5-lta4 a potential biomarker for the consumption of this food product.
Menthyl pyrrolidone carboxylate
1-menthyl-beta-d-glucoside, also known as (-)-menthyl o-β-glucopyranoside, is a member of the class of compounds known as terpene glycosides. Terpene glycosides are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Thus, 1-menthyl-beta-d-glucoside is considered to be an isoprenoid lipid molecule. 1-menthyl-beta-d-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 1-menthyl-beta-d-glucoside can be found in peppermint, which makes 1-menthyl-beta-d-glucoside a potential biomarker for the consumption of this food product. Menthyl pyrrolidone carboxylate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Ineketone
Ineketone is found in cereals and cereal products. Ineketone is isolated from Oryza sativa (rice). Isolated from Oryza sativa (rice). Ineketone is found in cereals and cereal products and rice.
Eseramine
4,5alpha-Dihydro-2-(hydroxymethylene)testosterone
Oxymesterone
Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) 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. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475) [HMDB] Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) 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. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475). C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione
11beta-Hydroxy-12alpha-methyltestosterone
Galanolactone
Galanolactone is found in ginger. Galanolactone is a constituent of Alpinia galanga (greater galangal) Galanolactone is a diterpenoid lactone first isolated from ginger. It is known to be present in acetone extracts of ginger, and appears to be an antagonist at 5-HT3 receptors. Constituent of Alpinia galanga (greater galangal)
Grandiflorolic acid
Grandiflorolic acid is found in green vegetables. Grandiflorolic acid is a constituent of Aralia cordata (udo).
Coenzyme Q2
A compound composed of the 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of two isoprenoid units. D020011 - Protective Agents > D000931 - Antidotes CONFIDENCE standard compound; INTERNAL_ID 148
17,18-EpETE
17,18-EpETE can be metabolized to novel epoxyprostaglandins. (PubChem) [HMDB] 17,18-EpETE can be metabolized to novel epoxyprostaglandins. (PubChem).
12-KETE
12-keto-eicosatetraenoic acid is a biologically active eicosanoid in the nervous system of Aplysia.It is a metabolite of 12-HPETE formed by Aplysia nervous tissue. 12-KETE was identified in incubations of the tissue with arachidonic acid using HPLC, UV spectrometry, and gas-chromatography/mass spectrometry. [3H]12-KETE is formed from endogenous lipid stores in nervous tissue, labeled with [3H]arachidonic acid upon stimulation by application of histamine. In L14 and L10 cells, identified neurons in the abdominal ganglion, applications of 12-KETE elicit changes in membrane potential similar to those evoked by histamine.[PMID:2774398] [HMDB] 12-keto-eicosatetraenoic acid is a biologically active eicosanoid in the nervous system of Aplysia.It is a metabolite of 12-HPETE formed by Aplysia nervous tissue. 12-KETE was identified in incubations of the tissue with arachidonic acid using HPLC, UV spectrometry, and gas-chromatography/mass spectrometry. [3H]12-KETE is formed from endogenous lipid stores in nervous tissue, labeled with [3H]arachidonic acid upon stimulation by application of histamine. In L14 and L10 cells, identified neurons in the abdominal ganglion, applications of 12-KETE elicit changes in membrane potential similar to those evoked by histamine.[PMID:2774398].
11,20-Dihydroxyferruginol
An abietane diterpenoid that is ferruginol in which a hydrogen of the bridgehead methyl group and the hydrogen ortho to the phenolic hydroxy group have both been replaced by hydroxy groups.
tert-Butyl (2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)carbamate
Ubiquinone-2
Ubiquinone-2 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-2 has just 2 isoprene units. Normally in humans it has 10. Ubiquinone-2 is an intermediate in the synthesis of Ubiquionone 10. Ubiquionone is involved in cellular respiration. It is fat-soluble and is therefore mobile in cellular membranes; it plays a unique role in the electron transport chain (ETC). In the inner bacterial membrane, electrons from NADH and succinate pass through the ETC to the oxygen, which is then reduced to water. The transfer of electrons through ETC results in the pumping of H+ across the membrane creating a proton gradient across the membrane, which is used by ATP synthase (located on the membrane) to generate ATP. Coenzyme Q functions as an electron carrier and reversibly changes to either an oxidized (CoQ), intermediate (CoQ), or reduced (CoQH2) form within a biomembrane. The Coenzyme Q2 (CoQH2) form also acts as an antioxidant and prevents cell death, and thus has been successfully used as a supplement. On the other hand, the value of the CoQ/CoQH2 ratio has been shown to increase in a number of diseases, presumably due to an anti-proliferative effect involving CoQ. Induction of apoptosis by CoQ2 is dependent on p53 protein levels. Moreover, CoQ2 induces reactive oxygen species (ROS) and the phosphorylation of p53. An antioxidant, l-ascorbic acid, inhibited CoQ2-induced p53 phosphorylation and further apoptotic stimuli. (PMID: 15905035) [HMDB] D020011 - Protective Agents > D000931 - Antidotes
ent-17-Hydroxy-15-kauren-19-oic acid
ent-17-Hydroxy-15-kauren-19-oic acid is found in corn. ent-17-Hydroxy-15-kauren-19-oic acid is isolated from Aralia cordata (udo). Isolated from Aralia cordata (udo). ent-17-Hydroxy-15-kauren-19-oic acid is found in green vegetables and corn.
Methylscopolamine
Methylscopolamine is only found in individuals that have used or taken this drug. It is a muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors. [PubChem]Methscopolamine acts by interfering with the transmission of nerve impulses by acetylcholine in the parasympathetic nervous system (specifically the vomiting center). It does so by acting as a muscarinic antagonist.
12-HEPE
12-HEPE is hydroxy derivative of 12-lipoxygenase metabolites of Eicosapentaenoic acid (EPA). 12S-HEPE participates in platelet-neutrophil interactions in a manner similar to 12S-HETE. It can also compete with endogenous arachidonic acid for 5-lipoxygenation in stimulated human neutrophils. By providing competing substrates for neutrophil 5-lipoxygenase, platelets might contribute to the antiinflammatory potential of dietary n-3 fatty acids through platelet-neutrophil interaction. ( PMID: 2116491) [HMDB] 12-HEPE is hydroxy derivative of 12-lipoxygenase metabolites of Eicosapentaenoic acid (EPA). 12S-HEPE participates in platelet-neutrophil interactions in a manner similar to 12S-HETE. It can also compete with endogenous arachidonic acid for 5-lipoxygenation in stimulated human neutrophils. By providing competing substrates for neutrophil 5-lipoxygenase, platelets might contribute to the antiinflammatory potential of dietary n-3 fatty acids through platelet-neutrophil interaction. ( PMID: 2116491).
15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is also known as 15R-HEPE. 15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 15R-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is an eicosanoid lipid molecule
14,15-EpETE
14,15-EpETE is an oxygenated lipid found in human blood. This fatty acyl belongs to the main class of eicosanoids and sub class of other eicosanoids. (Lipid Maps) [HMDB] 14,15-EpETE is an oxygenated lipid found in human blood. This fatty acyl belongs to the main class of eicosanoids and sub class of other eicosanoids. (Lipid Maps).
Phytocassane C
Phytoalexin from Oryza sativa (rice). Phytocassane C is found in cereals and cereal products and rice. Phytocassane C is found in cereals and cereal products. Phytoalexin from Oryza sativa (rice).
(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
7alpha-7-Hydroxy-8(14),15-isopimaradien-18-oic acid is found in alcoholic beverages. 7alpha-7-Hydroxy-8(14),15-isopimaradien-18-oic acid is a constituent of Juniperus communis (juniper). Constituent of Juniperus communis (juniper). 7alpha-7-Hydroxy-8(14),15-isopimaradien-18-oic acid is found in alcoholic beverages and fruits.
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices. (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices.
[8]-Dehydrogingerdione
[8]-Dehydrogingerdione is found in herbs and spices. [8]-Dehydrogingerdione is from Zingiber officinale (ginger). From Zingiber officinale (ginger). [8]-Dehydrogingerdione is found in herbs and spices.
(ent-15beta)-15-Hydroxy-19-trachylobanoic acid
(ent-15beta)-15-Hydroxy-19-trachylobanoic acid is found in fats and oils. (ent-15beta)-15-Hydroxy-19-trachylobanoic acid occurs in sunflowers.
Aframodial
Constituent of Zingiber officinale (ginger). Aframodial is found in herbs and spices and ginger. Aframodial is found in ginger. Aframodial is a constituent of Zingiber officinale (ginger).
Yucalexin B20
Yucalexin B18 is found in root vegetables. Yucalexin B18 is a constituent of Manihot esculenta (cassava root). Constituent of cassava Manihot esculenta. Yucalexin B20 is found in root vegetables.
Yucalexin A19
Yucalexin A19 is found in root vegetables. Yucalexin A19 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin A19 is found in root vegetables.
Panaquinquecol 6
Panaquinquecol 6 is found in tea. Panaquinquecol 6 is a constituent of Panax quinquefolium (American ginseng) Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 6 is found in tea.
Yucalexin P17
Yucalexin P17 is found in root vegetables. Yucalexin P17 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin P17 is found in root vegetables.
Galanal A
Galanal B is found in herbs and spices. Galanal B is a constituent of seeds of Alpinia galanga (greater galangal). Constituent of seeds of Alpinia galanga (greater galangal). Galanal B is found in herbs and spices.
12alpha-12-Hydroxy-7,13-abietadien-18-oic acid
12alpha-12-Hydroxy-7,13-abietadien-18-oic acid is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Yucalexin B22
Yucalexin B22 is found in root vegetables. Yucalexin B22 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin B22 is found in root vegetables.
(ent-15beta)-15,19-Dihydroxy-7-trachylobanone
(ent-15beta)-15,19-Dihydroxy-7-trachylobanone is found in fats and oils. (ent-15beta)-15,19-Dihydroxy-7-trachylobanone is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 15beta,19-ent-Dihydroxy-7-trachylobanone is found in fats and oils.
L-Citronellol glucoside
L-Citronellol glucoside is found in alcoholic beverages. L-Citronellol glucoside is a constituent of wine grapes (Vitis vinifera) Constituent of wine grapes (Vitis vinifera). D-Citronellol glucoside is found in alcoholic beverages and fruits.
11R-HEPE
11(R)-HEPE is produced by the oxidation of EPA by 11(R)-LO. This enzymatic activity and the resulting 11(R)-hydroxy acid have been isolated from the sea urchin S. purpuratus [HMDB] 11(R)-HEPE is produced by the oxidation of EPA by 11(R)-LO. This enzymatic activity and the resulting 11(R)-hydroxy acid have been isolated from the sea urchin S. purpuratus.
Methyl [8]-Shogaol
Methyl [8]-Shogaol is found in ginger. Methyl [8]-Shogaol is isolated from ginger (Zingiber officinale) [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. Isolated from ginger (Zingiber officinale) [DFC]. Methyl [8]-Shogaol is found in ginger.
15-HEPE
15-HEPE has been identified as a possible anti-inflammatory metabolite, and its elevated presence in the epidermis of animals fed oils rich in 20:5(n-3) or 18:3(n-6) may provide a mechanism for the beneficial effects of these oils on inflammatory conditions. 15-HEPE is a metabolite of eicosapentaenoic acid (EPA) which has anti-inflammatory properties and plays an important role in the resolution phase of inflammation. 15-HEPE is deposited in the epidermis, particularly in the metabolically active basal layer. This is considered advantageous in psoriasis therapy. (PMID: 17540633, 2106017) [HMDB] 15-HEPE has been identified as a possible anti-inflammatory metabolite, and its elevated presence in the epidermis of animals fed oils rich in 20:5(n-3) or 18:3(n-6) may provide a mechanism for the beneficial effects of these oils on inflammatory conditions. 15-HEPE is a metabolite of eicosapentaenoic acid (EPA) which has anti-inflammatory properties and plays an important role in the resolution phase of inflammation. 15-HEPE is deposited in the epidermis, particularly in the metabolically active basal layer. This is considered advantageous in psoriasis therapy. (PMID: 17540633, 2106017).
Glycopyrrolate
Glycopyrrolate is only found in individuals that have used or taken this drug. It is a synthetic anticholinergic agent with a quaternary ammonium structure. A muscarinic competitive antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics. [PubChem]Glycopyrrolate binds competitively to the muscarinic acetylcholine receptor. Like other anticholinergic (antimuscarinic) agents, it inhibits the action of acetylcholine on structures innervated by postganglionic cholinergic nerves and on smooth muscles that respond to acetylcholine but lack cholinergic innervation. These peripheral cholinergic receptors are present in the autonomic effector cells of smooth muscle, cardiac muscle, the sinoatrial node, the atrioventricular node, exocrine glands and, to a limited degree, in the autonomic ganglia. Thus, it diminishes the volume and free acidity of gastric secretions and controls excessive pharyngeal, tracheal, and bronchial secretions. D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AA - Antihidrotics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents
Cohulupone
Cohulupone is found in alcoholic beverages. Cohulupone is a constituent of hops Constituent of hops. Cohulupone is found in alcoholic beverages.
2-Hydroxy-6-(8-tridecenyl)benzoic acid
2-Hydroxy-6-(8-tridecenyl)benzoic acid is found in nuts. 2-Hydroxy-6-(8-tridecenyl)benzoic acid is isolated from pistachio shells. Isolated from pistachio shells. 2-Hydroxy-6-(8-tridecenyl)benzoic acid is found in nuts.
5-Hydroxyemedastine
5-Hydroxyemedastine is a metabolite of emedastine. Emedastine difumarate (Emadine) is a second generation antihistamine used in eye drops to treat allergic conjunctivitis. Its mechanism of action is a H1 receptor antagonist. (Wikipedia)
6-Hydroxyemedastine
6-Hydroxyemedastine is a metabolite of emedastine. Emedastine difumarate (Emadine) is a second generation antihistamine used in eye drops to treat allergic conjunctivitis. Its mechanism of action is a H1 receptor antagonist. (Wikipedia)
Atractyligenin
Atractyligenin is a diterpene that is found in many coffees and is largely excreted, unchanged, in urine. It is thought to be a good marker for coffee consumption. About 70\\% of the total atractyligenin in roast coffee is extracted during the brewing process. Robusta coffees tend to have only 10\\% of the atractyligenin content of Arabica coffees.
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid, also known as 15S-HEPE, is classified as a member of the Hydroxyeicosapentaenoic acids. Hydroxyeicosapentaenoic acids are eicosanoic acids with an attached hydroxyl group and five CC double bonds. 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is an eicosanoid lipid molecule
5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is classified as a member of the Hydroxyeicosapentaenoic acids. Hydroxyeicosapentaenoic acids are eicosanoic acids with an attached hydroxyl group and five CC double bonds. 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is an eicosanoid lipid molecule
(+/-)-18-Hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
(+/-)-8-Hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
(1R,4R,5R,9S,10R,13S)-5,9,13-Trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
5,8,11,14-Hexadecatetraenoicacid, 16-[(2R,3S)-3-ethyl-2-oxiranyl]-, (5Z,8Z,11Z,14Z)-rel-
2-Methoxyestriol
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
2-Oxahexacyclo[15.3.1.03,20.06,19.09,18.010,15]henicosane-16,21-diol
4-Oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosane-6,7-diol
1-Dehydro-[8]-gingerdione
1-dehydro-[8]-gingerdione belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. 1-dehydro-[8]-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-dehydro-[8]-gingerdione can be found in ginger, which makes 1-dehydro-[8]-gingerdione a potential biomarker for the consumption of this food product.
Ciliaric acid
Ciliaric acid, also known as ciliarate, is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids 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. Ciliaric acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ciliaric acid can be found in sunflower, which makes ciliaric acid a potential biomarker for the consumption of this food product.
ent-7alpha-hydroxykaur-16-en-19-oate
Ent-7alpha-hydroxykaur-16-en-19-oate is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids 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-7alpha-hydroxykaur-16-en-19-oate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ent-7alpha-hydroxykaur-16-en-19-oate can be found in a number of food items such as greenthread tea, cardamom, agave, and hickory nut, which makes ent-7alpha-hydroxykaur-16-en-19-oate a potential biomarker for the consumption of these food products.
Isosteviol
Isosteviol is a diterpenoid. Isosteviol is a natural product found in Ceriops decandra with data available. See also: Stevia rebaudiuna Leaf (part of). Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects[1][2][3][4]. Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects[1][2][3][4].
hypodiolide A
Tripterifordin is a natural product found in Gynocardia odorata and Tripterygium wilfordii with data available.
(8alpha,13R)-8,13-Epoxy-2-hydroxy-1,14-labdadien-3-one
ent-15,16-Epoxy-7,13(16),14-labdatriene-2alpha,3beta-diol
10beta-Hydroxy-2beta-(2-methylacryloyloxy)furanoeremophilane
Isocoronarin D
Tripterifordin
A kaurane diterpenoid that is (5beta,8alpha,13alpha)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of Tripterygium wilfordii, it exhibits anti-HIV activity.
[4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate
[4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid
Subcordatolide E
6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane
Tomelukast
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4323; ORIGINAL_PRECURSOR_SCAN_NO 4321 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4808; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4333; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4786; ORIGINAL_PRECURSOR_SCAN_NO 4784 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4915; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9235; ORIGINAL_PRECURSOR_SCAN_NO 9230 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9194; ORIGINAL_PRECURSOR_SCAN_NO 9192 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9299; ORIGINAL_PRECURSOR_SCAN_NO 9298 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248 INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9308; ORIGINAL_PRECURSOR_SCAN_NO 9306
9alpha,14alpha-Dihydroxy-androst-4-en-3,17-dion|9alpha,14alpha-Dihydroxy-androsten-(4)-dion-(3,17)
2,2-dimethyl-7-methoxy-6-(1-hydroxyethyl)-chromene isovalerate|2,2-dimethyl-7-methoxy-6-<1-hydroxyethyl>-chromene isovalerate
7-E,9-Z methyl trisporate B|Delta9-cis-Trisporsaeure-B-methylester|methyl (7E,9Z)-trisporate B|methyl trisporate B|Trisporinsaeure-B-methylester
(-)-curcuhydroquinone diacetate|2-methyl-5-((R)-6-methylhept-5-en-2-yl)-1,4-phenylene diacetate
(6beta,14beta,15beta)-6,14,15-trihydro-20-nor-ent-kaur-1(10),16(17)-dien-7-one|rubescensin N
Me ether,15-ketone-(6E,9Z,11E,13E)-9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid
O-(2-Methulpropenoyl)-(1beta,6beta,10beta)-1,10-Epoxyfuranoeremophilan-6-ol|O-(2-Methylpropenoyl)-(1beta,6beta,10beta)-1,10-Epoxyfuranoeremophilan-6-ol
2-(Methylpropenoyl)-(2beta, 10beta)-Furanoeremophilane-2, 10-diol
3-(3-hydroxy-3-methyl-butyl)-5-prenyl-4-hydroxycinnamic acid
4-(methoxymethyl)-2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indole
6beta-isobutyryloxy-10alphaH-9-oxofuranoeremophilane
(E)-9-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-purine-2,6,8(3H,7H,9H)-trione
(2R,4S,5R,8S,10R)-2-[(methacroyl)oxy]eremophil-7(11)-en-12,8-olide|(8S)-2-[(methacroyl)oxy]eremophil-7(11)-en-12,8-olide
(5SR,8SR,9SR,10RS,13SR)-2-hydroxy-16-nor-3-oxodolabr-1,4(18)dien-15-oic acid|ent-16-nor-5alpha,13alpha(methyl)-3-oxodolabra-1,4(18)-dien-2-ol-15-oic acid
2-(2,5-dihydroxy-3-((E)-3,7-dimethylocta-2,6-dienyl)phenyl)acetate|denudaquinol
6-(2-Methylpropanoyl)-(6beta, 10beta)-Furanoeremophilane-6, 10-diol
(1RS,2SR,8aRS)-7-acetyl-1,2,3,4,6,8a-hexahydro-1,8a-dimethyl-6-oxonaphthalen-2-yl 3-methylbutanoate|3beta-(3-methylbutanoyloxy)-11-noreremophila-6(7),9(10)-diene-8,11-dione
(10S,15R,Z)-10,15-dihydroxyheptadeca-8,16-dien-11,13-diynyl acetate
3beta-(methacryloyloxy)-6beta-hydroxy-10betaH-furanoeremophilane
(1R,2E)-2-(6-hydroxyhexylidene)cyclopropyl-beta-D-glucopyranoside
(4bS,7R,8aR,10R)-4b,5,6,7,8,8a,9,10-octahydro-3,7,10-trihydroxy-1,4b,8,8-tetramethyl-2-phenanthrenecarboxaldehyde|3alpha,7alpha,12-trihydroxy-16-norcassan-8,11,13-trien-13-al|noracanthopanin A
4E-9beta-methacryloxy-7alpha,10alphaH-germacra-4,11(13)-dien-12,6alpha-olide
atractyligenone (2-oxo-15alpha-hydroxyatractyl-16,17-ene-4alpha-carboxylic acid)
2,2,6-Trimethyl-4-(acetoxymethyl)-5-[2-(acetoxy)ethyl]indan
9alpha,12alpha-Dihydroxy-androsten-(4)-dion-(3,17)
6beta-propionyloxy-12alpha-methoxy-8,12-epoxyeremophila-1(10),7(11),8-triene
(-)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
6beta,11beta-dihydroxy-4-androstene-3,17-dione|6beta,11beta-Dihydroxy-androst-4-en-3,17-dion|6beta,11beta-dihydroxy-androst-4-ene-3,17-dione|6beta,11beta-Dihydroxy-androsten-(4)-dion-(3,17)|6beta,16beta-Dihydroxy-androst-4-en-3,17-dion
4-Me ether,Me ester-4-hydroxy-3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)benzoic acid|methyl 3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-4-methoxy-benzoate
4beta,7beta-Dihydroxy-18-norkaurenolid|ent-4alpha,6beta,7alpha-Trihydroxy-18-norkaur-16-en-19-carbonsaeure-19,6-lacton
2,2-dimethyl-7-methoxy-6-(1-hydroxyethyl)-chromene 2-methyl butyrate|2,2-dimethyl-7-methoxy-6-<1-hydroxyethyl>-chromene 2-methyl butyrate
10-(2-Methylbutyryloxy)-8,9-dehydrothymol-isobutyrat
Denudaquinol
Denudaquinol is a natural product found in Magnolia denudata with data available.
2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
ascr#16
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (9R)-9-hydroxydecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#16
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 10-hydroxydecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
(-)-menthyl beta-D-glucoside
1-(Triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
2-Methyl-2-propanyl 3-(7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl)-1- piperidinecarboxylate
Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methanone
1-Butyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
6-AMINO-3-DIETHYLAMINOMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 4-(oxiran-2-ylmethyl)-3-phenylpiperazine-1-carboxylate
3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]pentanedioic Acid Diethyl Ester
1-ISOBUTYL-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
1,1-Diethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
N-(2-(DIMETHYLAMINO)ETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
Gly-leu-met-NH2
4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
[5-[(dimethylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
1H-Pyrrolo[2,3-b]pyridine, 3-(methoxymethyl)-1-[tris(1-methylethyl)silyl]-
Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanone
1-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine
Carbamic acid,N-[[(2-aminoethoxy)amino][[(1,1-dimethylethoxy)carbonyl]amino]methylene]-,1,1-dimethylethyl ester, hydrochloride (1:1)
N-(2-DIMETHYLAMINOETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
2-[(4-phenylpiperazin-1-yl)methyl]quinolin-6-amine
1-tert-butyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
4-(3-Butylureido)phenylboronic acid, pinacol ester
TERT-BUTYL 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE
Methscopolamine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
Pegvaliase
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AB - Enzymes C307 - Biological Agent
16,19-Dihydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
(9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoic acid
10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoic acid
Glycopyrronium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, (3R)-
[2-(Cycloheptylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
2,2,3-Trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide
Glycopyrronium bromide
D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AA - Antihidrotics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents
ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate
2-[(11bS)-3-ethyl-9,10-dimethoxy-1,2,3,4,5,6,7,11b-octahydrobenzo[a]quinolizin-5-ium-2-yl]acetaldehyde
2-Amino-6-[6-(2-methoxyethoxy)hexanoylamino]hexanoic acid
[3-Carboxy-1-(7-carboxyheptanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-carboxyheptanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-carboxy-3-methylhexanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(5-carboxy-3-methylhexanoyl)oxypropyl]-trimethylazanium
N-tert-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]imine
N-[2-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]oxyphenyl]acetamide
4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl isobutyrate
A natural product found in Pittocaulon velatum.
3,4,17-Trihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
3,7-Dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline
N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]imine
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide
5-[(2-Methylphenoxy)methyl]-3-[(4-methyl-1-piperidinyl)methyl]-2-oxazolidinone
(2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester
(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2R)-3-hydroxy-2-phenylpropanoate
2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate
(8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxononanoic acid
9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxononanoic acid
(9R)-9-fluoro-11-hydroxy-10,17,17-trimethyl-2,6,7,8,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
[(1S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
[(2R)-3-carboxy-2-(7-carboxyheptanoyloxy)propyl]-trimethylazanium
9alpha-Fluoro-18-nor-17,17-dimethylandrosta-4,13-dien-11beta-ol-3-one
Methyl 2-((1E),(3Z)-3-methyl-7-oxoocta-1,3-dienyl)-1,3-dimethyl-4-oxocyclohex-2-enyl-1-carboxylate
2-(Ethoxycarbonyl)-3-(alpha-methylbenzyl)-5-hexenoic acid ethyl ester
aculene B(1+)
A secondary ammonium ion that is the conjugate acid of aculene B, arising from the protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
A seco-androstane that is 9,10-secoandrostane which is substituted by hydroxy groups at position 3, 4 and 17 and an oxo group at position 9 and in which the A-ring is aromatic.
SIRT2-IN-11
SIRT2-IN-11 (AEM1) is a selective SIRT2 inhibitor with an IC50 value of 18.5 μM. SIRT2-IN-11 p53-dependently induces apoptosis, activates expression of CDKN1A, PUMA and NOXA, and increases acetylation of p53. SIRT2-IN-11 can be used for the research of p53-related cancers[1].
7-ethenyl-4,9-dihydroxy-1-(hydroxymethyl)-4a,7-dimethyl-5,6,8,9,10,10a-hexahydro-4h-phenanthren-3-one
2-(hydroxymethyl)-6-{2-[2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]ethoxy}oxane-3,4,5-triol
methyl (1s)-1,3-dimethyl-2-[(1e,3e)-3-methyl-7-oxoocta-1,3-dien-1-yl]-4-oxocyclohex-2-ene-1-carboxylate
(4r,4ar,5r)-5-hydroxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
3-{4-hydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(3-methylbut-2-en-1-yl)phenyl}propanoic acid
3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{2-[(1r)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]ethoxy}oxane-3,4,5-triol
6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1h-phenanthrene-2-carboxylic acid
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-8-oxo-4h,5h,6h,7h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl 3-methylbutanoate
(8s,10as)-8-hydroxy-3-isopropyl-7,7,10a-trimethyl-6h,6ah,8h,9h,10h-cyclohexa[h]chromene-2,5-dione
(1r,4e,6s,9s)-6-[(2z,4e)-6-hydroxy-6-methyl-1-oxohepta-2,4-dien-2-yl]-9-methyl-10-oxabicyclo[7.1.0]dec-4-ene-4-carbaldehyde
(1s,2s,8r,15r)-15-hydroxy-11-[(2s)-piperidin-2-yl]-13-oxa-7-azatetracyclo[6.5.2.0¹,¹⁰.0²,⁷]pentadec-10-en-12-one
(2e)-3,7-dimethylocta-2,6-dien-1-yl 3,4-dimethoxybenzoate
{6-methyl-3-methylidene-2-oxo-3ah,4h,5h,6h,11h,11ah-cyclodeca[b]furan-10-yl}methyl 2-methylpropanoate
5-hydroxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
6-(acetyloxy)pentadeca-3,9,12-trien-1-yn-7-yl acetate
1-[2',4'-dihydroxy-3',5'-di-(3''-methylbut-2''-enyl)-6'-methoxy]phenylethanone
{"Ingredient_id": "HBIN000648","Ingredient_name": "1-[2',4'-dihydroxy-3',5'-di-(3''-methylbut-2''-enyl)-6'-methoxy]phenylethanone","Alias": "NA","Ingredient_formula": "C19H26O4","Ingredient_Smile": "CC(=CCC1=C(C(=C(C(=C1O)C(=O)C)OC)CC=C(C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5851","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
