Exact Mass: 354.1408428
Exact Mass Matches: 354.1408428
Found 500 metabolites which its exact mass value is equals to given mass value 354.1408428,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Notopterol
Notopterol is a furanocoumarin. Notopterol is a natural product found in Hansenia forbesii and Hansenia weberbaueriana with data available. Notopterol is a coumarin extracted from N. incisum. Notopterol induces apoptosis and has antipyretic, analgesic and anti-inflammatory effects. Notopterol is used for acute myeloid leukemia (AML)[1]. Notopterol is a coumarin extracted from N. incisum. Notopterol induces apoptosis and has antipyretic, analgesic and anti-inflammatory effects. Notopterol is used for acute myeloid leukemia (AML)[1].
Futoquinol
Futoquinol is a monoterpenoid. Futoquinol is a natural product found in Piper wightii, Piper hymenophyllum, and other organisms with data available.
Xanthohumol
Xanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and a prenyl group at position 3. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. It has a role as a metabolite, an apoptosis inducer, an antineoplastic agent, an antiviral agent, an EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor and an anti-HIV-1 agent. It is a member of chalcones, a polyphenol and an aromatic ether. It is a conjugate acid of a xanthohumol(1-). Xanthohumol is under investigation in clinical trial NCT01367431 (Xanthohumol and Metabolic Syndrome). Xanthohumol is a natural product found in Humulus lupulus and Capsicum annuum with data available. Xanthohumol is a prenylated flavonoid derived from the female flowers of the hops plant (Humulus lupulus L), with potential chemopreventive and antineoplastic activities. Upon administration, xanthohumol scavenges reactive oxygen species (ROS), thereby preventing DNA damage due to oxidative stress. In addition, xanthohumol is able to increase the expression of phase II cytoprotective enzymes, thereby inactivating carcinogens. This agent exerts anti-inflammatory activity, through the inhibition of inflammation-inducing enzymes, inhibits DNA synthesis, and induces apoptosis of susceptible cancer cells. Xanthohumol also decreases the expression of C-X-C chemokine receptor 4 (CXCR4), thereby preventing cancer cell invasion. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and a prenyl group at position 3. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor Xanthohumol is found in alcoholic beverages. Xanthohumol is isolated from Humulus lupulus (hops Isolated from Humulus lupulus (hops). Xanthohumol is found in beer and alcoholic beverages. D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C1892 - Chemopreventive Agent [Raw Data] CBA95_Xanthohumol_pos_50eV.txt [Raw Data] CBA95_Xanthohumol_neg_40eV.txt [Raw Data] CBA95_Xanthohumol_neg_20eV.txt [Raw Data] CBA95_Xanthohumol_neg_30eV.txt [Raw Data] CBA95_Xanthohumol_neg_50eV.txt [Raw Data] CBA95_Xanthohumol_pos_30eV.txt [Raw Data] CBA95_Xanthohumol_pos_10eV.txt [Raw Data] CBA95_Xanthohumol_neg_10eV.txt [Raw Data] CBA95_Xanthohumol_pos_20eV.txt [Raw Data] CBA95_Xanthohumol_pos_40eV.txt Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
FUSARENON X
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(+)-Sesamin
(+)-Sesamin, also known as fagarol or sezamin, belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units. (+)-Sesamin is an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-Sesamin is found, on average, in the highest concentration within sesames. (+)-Sesamin has also been detected, but not quantified in, several different foods, such as fats and oils, flaxseeds, ginkgo nuts, and ucuhuba. This could make (+)-sesamin a potential biomarker for the consumption of these foods. (+)-sesamin is a lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. It has a role as an antineoplastic agent, a neuroprotective agent and a plant metabolite. It is a lignan, a member of benzodioxoles and a furofuran. Sesamin is a natural product found in Pandanus boninensis, Podolepis rugata, and other organisms with data available. See also: Sesame Oil (part of). A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. Constituent of sesame oil. (+)-Sesamin is found in many foods, some of which are ginkgo nuts, sesame, flaxseed, and fats and oils. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2].
Licoisoflavone A
Constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is found in many foods, some of which are yellow wax bean, common bean, white lupine, and green bean. Licoisoflavone A is found in common bean. Licoisoflavone A is a constituent of Phaseolus vulgaris (kidney bean). Licoisoflavone A is an isoflavone[1]. Licoisoflavone A inhibits lipid peroxidation with an IC50 of 7.2 μM[1]. Licoisoflavone A is an isoflavone[1]. Licoisoflavone A inhibits lipid peroxidation with an IC50 of 7.2 μM[1].
kaempferol 3-rhamnoside-7-glucoside
Hinokinin (Compound 1) is a compound isolated from the stems of Hypoestes aristate. Hinokinin exhibits moderate activity of HIV-1 protease enzyme[1]. Hinokinin (Compound 1) is a compound isolated from the stems of Hypoestes aristate. Hinokinin exhibits moderate activity of HIV-1 protease enzyme[1].
Cristacarpin
Cristacarpin is found in pulses. Cristacarpin is isolated from Psophocarpus tetragonolobus (winged bean).
Cyclokievitone
Isolated from pods of Phaseolus vulgaris (kidney bean) and from other Phaseolus subspecies Cyclokievitone is found in many foods, some of which are green bean, common bean, pulses, and mung bean. Cyclokievitone is found in common bean. Cyclokievitone is isolated from pods of Phaseolus vulgaris (kidney bean) and from other Phaseolus species.
Luteone
Luteone is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2 and 4 and a prenyl group at position 6. It has a role as a metabolite. Luteone is a natural product found in Lupinus albus, Lupinus arboreus, and other organisms with data available. See also: Lupinus luteus seed (part of). A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2 and 4 and a prenyl group at position 6. Constituent of Lupinus subspecies Luteone is found in many foods, some of which are common bean, white lupine, pulses, and lima bean. Luteone is found in common bean. Luteone is a constituent of Lupinus species. Luteone is a natural isoflavone, with antioxidant, antibacterial and antifung activities[1]. Luteone is a natural isoflavone, with antioxidant, antibacterial and antifung activities[1].
Sultopride
C17H26N2O4S (354.16131960000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Same as: D08549
Epoxybergamottin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
3'-Hydroxy-4'-methoxyglabridin
3-Hydroxy-4-methoxyglabridin is an isoflavonoid. 3-Hydroxy-4-methoxyglabridin is a natural product found in Glycyrrhiza glabra with data available. 3-Hydroxy-4-methoxyglabridin is found in herbs and spices. 3-Hydroxy-4-methoxyglabridin is isolated from Glycyrrhiza glabra (licorice Isolated from Glycyrrhiza glabra (licorice). 3-Hydroxy-4-methoxyglabridin is found in tea and herbs and spices.
Licoagrochalcone C
Licoagrochalcone C is a member of chalcones. Licoagrochalcone C is a natural product found in Glycyrrhiza glabra and Glycyrrhiza inflata with data available. Licoagrochalcone C is found in herbs and spices. Licoagrochalcone C is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrochalcone C is found in tea and herbs and spices. Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
Albanin A
Albanin A is a member of flavones. Albanin A is a natural product found in Artocarpus gomezianus, Brosimum lactescens, and other organisms with data available. Albanin A is found in fruits. Albanin A is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Albanin A is found in fruits.
2',4',5,7-Tetrahydroxy-8-prenylisoflavone
Isolated from Phaseolus lunatus (butter bean) and Phaseolus vulgaris (kidney bean). 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is found in many foods, some of which are common bean, yellow wax bean, pulses, and lima bean. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is a member of isoflavones. 2,3-Dehydrokievitone is a natural product found in Erythrina sacleuxii, Lupinus luteus, and other organisms with data available. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is found in common bean. 2,4,5,7-Tetrahydroxy-8-prenylisoflavone is isolated from Phaseolus lunatus (butter bean) and Phaseolus vulgaris (kidney bean).
Lansiumarin C
Lansiumarin C is found in fruits. Lansiumarin C is a constituent of Clausena lansium (wampee) Constituent of Clausena lansium (wampee). Lansiumarin C is found in fruits. Lansiumarin C is a member of psoralens.
Isolicoflavonol
Isolicoflavonol is a member of flavones. Isolicoflavonol is a natural product found in Macaranga conifera, Broussonetia papyrifera, and other organisms with data available. Isolicoflavonol is found in herbs and spices. Isolicoflavonol is a constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Isolicoflavonol is found in herbs and spices.
Licoflavonol
Licoflavonol is a member of flavones. Licoflavonol is a natural product found in Glycyrrhiza, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). Licoflavonol is found in herbs and spices. Licoflavonol is isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Isolated from the roots of Glycyrrhiza uralensis (Chinese licorice). Licoflavonol is found in herbs and spices.
Valganciclovir
Valganciclovir hydrochloride (Valcyte, manufactured by Roche) is an antiviral medication used to treat cytomegalovirus infections. As the L-valyl ester of ganciclovir, it is actually a prodrug for ganciclovir. After oral administration, it is rapidly converted to ganciclovir by intestinal and hepatic esterases. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran is found in herbs and spices. 2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran is isolated from the seed kernels of Myristica fragrans (nutmeg
Aurantiumal
Aurantiumal is found in citrus. Aurantiumal is isolated from oil of grapefruit peel (Citrus paradisi
Isopropyl apiosylglucoside
Isopropyl apiosylglucoside is found in root vegetables. Isopropyl apiosylglucoside is a constituent of the roots of cassava (Manihot esculenta). Constituent of the roots of cassava (Manihot esculenta). Isopropyl apiosylglucoside is found in root vegetables.
Gancaonin L
Gancaonin L is found in herbs and spices. Gancaonin L is isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Isolated from the aerial parts of Glycyrrhiza uralensis (Chinese licorice). Gancaonin L is found in herbs and spices.
Glyceofuran
Glyceofuran is found in pulses. Glyceofuran is isolated from cotyledons and hypocotyls of Glycine max after treatment with Pseudomonas pisi or sodium iodoacetate. Isolated from cotyledons and hypocotyls of Glycine max after treatment with Pseudomonas pisi or sodium iodoacetate. Glyceofuran is found in soy bean and pulses.
Allithiamine
C15H22N4O2S2 (354.11841119999997)
Allithiamine is found in chives as well as garlic (Allium sativum). It imparts a meaty flavour to foods. Allithiamine has vitamin B1 activity. It has been investigated as a dietary supplement to enhance muscle performance in sports. Allithiamine is a lipid-soluble form of vitamin B1 which occurs naturally in garlic. It is more bioavailable than the water-soluble form of vitamin B1, thiamine, and is the preferred form to be taken in case of a vitamin deficiency.[citation needed obtained from garlic (Allium sativum). Imparts meaty flavour to foods. Has vitamin B1 activity. Investigated as a dietary supplement to enhance muscle performance in sports [DFC]
Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside
Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is found in root vegetables. Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is found in root vegetables.
3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-ol
Isoartocarpesin
Isoartocarpesin is found in fruits. Isoartocarpesin is a constituent of Artocarpus incisus (breadfruit). Constituent of Artocarpus incisus (breadfruit). Isoartocarpesin is found in fruits.
Artocarpesin
Artocarpesin is found in fruits. Artocarpesin is a constituent of the heartwood of Artocarpus heterophyllus (jackfruit)
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is found in herbs and spices. 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is found in herbs and spices.
Gancaonin I
Gancaonin I is found in herbs and spices. Gancaonin I is isolated from Glycyrrhiza uralensis (Chinese licorice) and other Glycyrrhiza species. Isolated from Glycyrrhiza uralensis (Chinese licorice) and other Glycyrrhiza subspecies Gancaonin I is found in herbs and spices.
Gancaonin C
Gancaonin C is found in herbs and spices. Gancaonin C is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin C is found in herbs and spices.
Methyl helianthenoate F glucoside
Methyl helianthenoate F glucoside is found in root vegetables. Methyl helianthenoate F glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl helianthenoate F glucoside is found in root vegetables.
Gancaonin O
Constituent of Glycyrrhiza uralensis (Chinese licorice) and Hypericum perforatum (St. Johns Wort). Gancaonin O is found in tea, alcoholic beverages, and herbs and spices. Gancaonin O is found in alcoholic beverages. Gancaonin O is a constituent of Glycyrrhiza uralensis (Chinese licorice) and Hypericum perforatum (St. Johns Wort).
Licoagrochalcone D
Isolated from hairy root cultures of Glycyrrhiza glabra. Licoagrochalcone D is found in alcoholic beverages and herbs and spices. Licoagrochalcone D is found in alcoholic beverages. Licoagrochalcone D is isolated from hairy root cultures of Glycyrrhiza glabr
1-Methoxyphaseollidin
1-Methoxyphaseollidin is found in pulses. 1-Methoxyphaseollidin is isolated from seeds of Psophocarpus tetragonolobus (winged bean Isolated from seeds of Psophocarpus tetragonolobus (winged bean). 1-Methoxyphaseollidin is found in winged bean and pulses.
Glyceollin IV
Phytoalexin from Glycine max (soybean) and Psophocarpus tetragonolobus (winged bean). Glyceollin IV is found in soy bean, fats and oils, and pulses. Glyceollin IV is found in fats and oils. Phytoalexin from Glycine max (soybean) and Psophocarpus tetragonolobus (winged bean
Epoxybergamottin
Epoxybergamottin is found in citrus. Epoxybergamottin is a constituent of grapefruit (Citrus paradisi) peel oil. Constituent of grapefruit (Citrus paradisi) peel oil. Epoxybergamottin is found in citrus.
Xanthogalenol
Xanthogalenol is found in alcoholic beverages. Xanthogalenol is isolated from Humulus lupulus (hops Isolated from Humulus lupulus (hops). Xanthogalenol is found in alcoholic beverages.
Propofol glucuronide
Propofol glucuronide is a metabolite of propofol. Propofol is a short-acting, intravenously administered hypnotic agent. Its uses include the induction and maintenance of general anesthesia, sedation for mechanically ventilated adults, and procedural sedation. Propofol is also commonly used in veterinary medicine. Propofol is approved for use in more than 50 countries, and generic versions are available. (Wikipedia)
(1R,3As,4S,6aS)-1,4-di(benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan
Constituent of sesame oil. (+)-Sesamin is found in many foods, some of which are ginkgo nuts, sesame, flaxseed, and fats and oils. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2].
3-(4-(2-Dimethylamino-1-methylethoxy)phenyl)-1H-pyrazolo(3,4-b)pyridine-1-acetic acid
8-Prenylkaempferol
Pyroglutamyl-glutamyl-proline amide
4-Amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
AZD7325 is a potent and orally active partial selective PAM of GABAAα2 and Aα3 receptor (Ki=0.3 and 1.3 nM, respectively), and has less antagonistic efficacy at the Aα1?and Aα5?receptor subtypes[1][4]. AZD7325 is a moderate?CYP1A2?and a potent?CYP3A4?inducer in vitro[2]. AZD7325 has the potential for the investigation of anxiety and dravet syndrome[3]. PAM: positive allosteric modulator.
1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol
C18H18N4O4 (354.13279880000005)
Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-
C18H24Cl2N2O (354.12655939999996)
Cellobioside
(4R,6S)-6-[(E)-2-[2-(4-Fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
C22H23FO3 (354.16311399999995)
FUSARENON X
Isofezolac
C23H18N2O2 (354.13682079999995)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(prop-2-enyldisulfanyl)pent-2-en-2-yl]formamide
C15H22N4O2S2 (354.11841119999997)
Valganciclovir, (S)-
Xanthohumol(Random Configuration)
Xanthoangelol D
Xanthoangelol d is a member of the class of compounds known as 3-prenylated chalcones. 3-prenylated chalcones are chalcones featuring a C5-isoprenoid unit at the 3-position. Thus, xanthoangelol d is considered to be a flavonoid lipid molecule. Xanthoangelol d is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol d can be found in angelica, which makes xanthoangelol d a potential biomarker for the consumption of this food product.
Xanthoangelol H
Xanthoangelol h 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. Thus, xanthoangelol h is considered to be a flavonoid lipid molecule. Xanthoangelol h is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol h can be found in angelica, which makes xanthoangelol h a potential biomarker for the consumption of this food product.
Cnidicin
Cnidicin, also known as 58-diprenyloxypsoralen, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Cnidicin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cnidicin can be found in lemon, which makes cnidicin a potential biomarker for the consumption of this food product.
sesamin
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D000975 - Antioxidants D009676 - Noxae > D000963 - Antimetabolites relative retention time with respect to 9-anthracene Carboxylic Acid is 1.233 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.236 Asarinin is a natural product found in Piper mullesua, Machilus thunbergii, and other organisms with data available. (-)-Asarinin is a natural product found in Zanthoxylum austrosinense, Horsfieldia irya, and other organisms with data available. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2]. Sesamin, abundant lignan found in sesame oil, is a potent and selective delta 5 desaturase inhibitor in polyunsaturated fatty acid biosynthesis. Sesamin exerts effective neuroprotection against cerbral ischemia[1][2].
Hydroprotopine
C20H20NO5+ (354.13414100000006)
Isoxanthohumol
Isoxanthohumol is a member of flavanones. Isoxanthohumol is a natural product found in Streptomyces, Humulus lupulus, and Sophora flavescens with data available. Isolated from hop (Humulus lupulus). Isoxanthohumol is a biomarker for the consumption of beer. Isoxanthohumol is found in beer and alcoholic beverages. (2S)-Isoxanthohumol is a microbial biotransformed metabolite of the hop prenylflavanone Isoxanthohumol[1]. (2S)-Isoxanthohumol is a microbial biotransformed metabolite of the hop prenylflavanone Isoxanthohumol[1]. Isoxanthohumol is a prenylflavonoid from hops and beer. Isoxanthohumol exhibits an antiproliferative activity against several human cancer cell lines. Isoxanthohumol inhibits the development of lung metastatic foci in tumor-challenged animals. Isoxanthohumol shows an antiviral activity towards herpes viruses (HSV1 and HSV2) and bovine viral diarrhea virus (BVDV)[1][2]. Isoxanthohumol is a prenylflavonoid from hops and beer. Isoxanthohumol exhibits an antiproliferative activity against several human cancer cell lines. Isoxanthohumol inhibits the development of lung metastatic foci in tumor-challenged animals. Isoxanthohumol shows an antiviral activity towards herpes viruses (HSV1 and HSV2) and bovine viral diarrhea virus (BVDV)[1][2].
Cnidicin
Cnidicin is a natural product found in Ostericum grosseserratum with data available.
Acetylresveratrol
Acetic acid [4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] ester is a stilbenoid. Triacetylresveratrol, an acetylated analog of Resveratrol. Triacetylresveratrol decreases the phosphorylation of STAT3 and NF-κB in a dose- and time- dependent manner in PANC-1 and BxPC-3 cells. Anticancer effects[1]. Triacetylresveratrol, an acetylated analog of Resveratrol. Triacetylresveratrol decreases the phosphorylation of STAT3 and NF-κB in a dose- and time- dependent manner in PANC-1 and BxPC-3 cells. Anticancer effects[1].
asarinin
Episesamin is a natural product found in Zanthoxylum acanthopodium, Zanthoxylum beecheyanum, and other organisms with data available. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1]. (-)-Asarinin is a extract lignan from Asarum sieboldii Miq., mainly produced in roots of this herb[1].
2-Methoxyhelikrausichalcone
5,7,2,4-Tetrahydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
Erylatissin C
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 3, a methoxy group at position 4 and a prenyl group at position 5. Isolated from Erythrina latissima, it exhibits antimicrobial and radical scavenging activities.
(E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Laburnetin
5,7-Dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)chromen-4-one is a natural product found in Erythrina suberosa and Erythrina variegata with data available.
Neorauflavane
Edudiol
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Cuevaene A
A monocarboxylic acid that is (2E,4Z,6E)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group.
Tephroleocarpin A
helichromanochalcone
6,6-Dimethyl-5-hydroxy-4,5-dihydropyrano[2,3:2,3]-4-hydroxy-6-methoxychalcone
Isodehydrocycloxanthohumol hydrate
Licochalcone D
Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2]. Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2].
7,8-(2,2-Dimethylpyrano)-3,4-dihydroxy-5-methoxyflavan
Mundulea flavanone B
Xanthohumol
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor Acquisition and generation of the data is financially supported by the Max-Planck-Society D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C1892 - Chemopreventive Agent IPB_RECORD: 2221; CONFIDENCE confident structure IPB_RECORD: 4121; CONFIDENCE confident structure IPB_RECORD: 4101; CONFIDENCE confident structure Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
Flemistrictin D
cristacarpin
Isolated from Psophocarpus tetragonolobus (winged bean). Cristacarpin is found in winged bean and pulses.
1-Methoxyphaseollidin
3-Methoxyglabridin
URB937
URB937 is an orally active and peripherally restricted FAAH inhibitor (IC50=26.8 nM) and increases anandamide levels. URB937 fails to affect FAAH activity in the brain (not penetrate the blood-brain barrier)[1].
3-(4-Phenylpiperazino)-2-(2-pyridylsulfonyl)acrylonitrile
C18H18N4O2S (354.11504080000003)
N-(3-Cyano-4,5-dimethyl-2-thienyl)-2-(4-phenylpiperazino)acetamide
(E)-1-[2-hydroxy-4-(3-methylbut-2-enyloxy)phenyl]-3-(3-hydroxy-4-methoxyphenyl) prop-2-en-1-one|2,3-dihydroxy-4-methoxy-4-(gamma,gamma-dimethylallyloxy)chalcone
3beta-acetoxyl-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide
(E)-3-(3-methylbut-1-enyl)-11-hydroxy-4-methoxy-9-methyl-7H-dibenzo[b,d]dioxocin-5-one
Liconeolignan
Liconeolignan is a natural product found in Glycyrrhiza inflata with data available.
5-methoxy-2,2,8-trimethyl-10-senecioyl-2H,6H-benzo(1,2-b;5,4-b)dipyran-6-one
(5Z,17E)-18-bromooctadeca-5,17-dien-7-ynoic acid
C18H27BrO2 (354.11943019999995)
1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-2-(4-methoxy-phenyl)-ethanone
6beta-acetoxy-7beta-hydroxy-1beta-methoxy-1alpha,8alpha-oxido-10beta,11betaH-eremophilan-12,8-olide
alisiaquinol
An organic heteropentacyclic compound comprising (2aS,5aR,8aR,8bS)-8a-hydroxy-2a,5a-dimethyldecahydro-8H-naphtho[1,8-bc]furan-8-one ortho-fused to C-6 and C-7 of naphthalene-1,4-diol. An antiplasmodial drug isolated from New Caledonian deep water sponge.
1-O-alpha-L-arabinofuranosyl-(1->6)-beta-D-galactopyranosyl isopropyl alcohol|pungen B
(-)-3-((1E)-1,3-dimethylpent-1-enyl)-10-hydroxy-7-methoxy-1H-naphtho[2,3-c]pyran-8,9(8H)-dione|(-)-3-<(1E)-1,3-dimethylpent-1-enyl>-10-hydroxy-7-methoxy-1H-naphtho<2,3-c>pyran-8,9(8H)-dione|leptosphaerodione
2,6-dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-4-methoxychalcone
5-(6-hydroxy-3,7-dimethylocta-2,7-dienyloxy)psoralen
2-[[N-Methyl-N-(5-guanidino-2-aminopentanoyl)hydrazino]phosphonyl]-2-hydroxyacetic acid methyl ester
6-methyl-2a,3,4,4a,5,6,7,8a,12b,12c-decahydro-2h-5,12d-ethanofuro[4,3,2:4,10]anthra[9,1-bc]oxepine-2,9,12-trione
1,2,5-Tri-O-methylglobuxanthone|Tri-Me ether-Globuxanthone
3alpha-propionyloxy-5beta-(4-hydroxytigloyloxy)-7-hydroxycarvotacetone|3alpha-propionyloxy-5beta-<4-hydroxytigloyloxy>-7-hydroxycarvotacetone
moracin Q|[2,3: 5,6]-(5-hydroxy-4,5-dihydro-6,6-dimethylpyrano)-2-(3,5-dimethoxyphenyl)benzofuran
3-(alpha-Hydroxy-benzyl)-6-(alpha-methoxy-benzyl)-1-methyl-piperazin-2,5-dion|3-(alpha-hydroxy-benzyl)-6-(alpha-methoxy-benzyl)-1-methyl-piperazine-2,5-dione
10-Benzoyloxy-6-hydroxy-8,9-dehydrothymol-isobutyrat
2-(2,3,4,6-tetramethoxyphenyl)-5-(E)-propenylbenzofuran|3-Methoxy-5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran
7alpha-methoxy-13alpha-(furan-3-yl)-11-keto-apian-3(4),8-dien-(20,6)-olide
4-O-beta-D-Glucopyranoside-4-Hydroxy-3-(3-methyl-2-butenyl)benzenemethanol
3-(4-hydroxyphenyl)-1-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-7-yl]prop-2-en-1-one
(2E)-1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one|1,2-dihydroxanthohumol C|2,2-dimethyl-3,4-dihydro-(2H)-pyrano[2,3:3,4]-2,4-dihydroxy-6-methoxychalcone|2,2-dimethyl-3,4-dihydro-4,2-dihydroxy-6-methoxy-(2H-pyrano)[5,6:3,4]chalcone|4,2-dihydroxy-6-methoxy-6,6-dimethyl-4,5-dihydropyrano[2,3:3,4]chalcone|Isodehydrocycloxanthohumol
1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one
1,2-Methylenedioxy-4-methoxy-5-allyl-phen-3-yl ??-D-glucopyranoside
1-O-beta-Glucopyranoside-2-Methyl-6-(3-methyl-2-butenyl)-1,4-benzenediol,9CI
5-(7-hydroxy-3,7-dimethylocta-2,5-dienyloxy)psoralen|notoptol
alpha-L-Rhap-(1 -> 4)-alphabeta-D-GlcpA
C13H22O11 (354.11620619999997)
1,3,5-trihydroxy-2-methyl-4-[(S)-3-methylpentyl]-9,10-anthracenedione|lupinacidin C
4,9-bis-(3-methyl-but-3-enyloxy)-furo[3,2-g]chromen-7-one|Cnidicin, 5,8-Diisopentenyloxypsoralen
2,3-dihydro-7-hydroxy-8-[(Z)-3-hydroxy-3-methylbut-1-enyl]-5-methoxy-2-phenylchroman-4-one|Tephrocandidin A
(1beta,5alpha,7beta,8beta)-8-(acetyloxy)-5-hydroperoxy-1-hydroxycostic acid methyl ester|methyl rel-(2R,3R,4aS,5R,8aR)-3-(acetyloxy)decahydro-8a-hydroperoxy-5-hydroxy-4a-methyl-a,8-bis(methylene)naphthalene-2-acetate
4-(3,3-Dimethyloxiranylmethoxy)-6-(1,1-dimethyl-2-propenyl)-7H-furo[3,2-g][1]benzopyran-7-one
7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosylphthalide
ethyl 5-O-trans-feruloyl-alpha-L-arabinofuranoside
2,2-Dimethyl-5-methoxy-3,4-dihydro-3,8-bi(2H-1-benzopyran)-7,8-diol
2-(2,4-Dihydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-2,3-dihydro-4H-1-benzopyran-4-one
3(S)-5,7-dihydroxy-4-methoxy-3-(gammagamma-dimethylallyl)isoflavanone|Erythraddison III
(2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoic acid|cuevaene A|cuevaenes A|MBJ-0020
5-(1,1-dimethylallyl)-3,4,4-trihydroxy-2-methoxychalcone
Isobutyric acid 2-methoxy-4-[3-(isobutyryloxy)-1,2-dihydroxypropyl]phenyl ester
(+)-welwitindolinone A|welwitindolinone A|welwitindolinone A isonitrile
Methyl 20-hydroxy-19-oxo-2,16-didehydrocuran-17-oate #
2-methoxy-5-(1,1-dimethylallyl)-4,2,4-trihydroxychalcone|licochalcone G
4alpha,10beta-dihydroxy-3alpha-methoxy-8alpha-acetoxy-11betaH-guai-1-en-12,6alpha-olide
1-[2-Methoxy-3-(3-methyl-2-butenyl)-4-hydroxyphenyl]-3-(4-hydroxyphenyl)-1,3-propanedione
(-)-4-O-methylenshicine|(7R,8S,8S)-8,8-dimethyl-3,4-dimethoxy-4,5-methylenedioxy-2,7-cyclolignan-7-one|(?)-4-O-methylenshicine|6,7-Methylendioxy-2,3-dimethyl-4-(3,4-dimethoxy-phenyl)-tetralon-(1)|6,7-Methylendioxy-2,3-dimethyl-4-<3,4-dimethoxy-phenyl>-tetralon-(1)|epishicine methyl ether
O-beta-D-Glucopyranoside-3-(3-Hydroxypropyl)phthalide|pediglucoside
3,5-dimethoxy-17-hydroxy-4,19-diketo-11-ene[7,0]metacyclophane|nanaone
4,5,7-trihydroxy-8-methyl-6-(3-methyl-[2-butenyl])-(2S)-flavanone
2,3-Dimethoxy-7-methyl-9,10-methylenedioxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizine-7-ium
C21H24NO4+ (354.17052440000003)
6-Prenylsakuranetin
6-Prenylsakuranetin is a natural product found in Deguelia hatschbachii, Eysenhardtia texana, and Humulus lupulus with data available.
Macatrichocarpin A
4/-O-Methyllicoflavanone is a natural product found in Erythrina mildbraedii with data available.
3P0SH94V09
Licochalcone D is a natural product found in Glycyrrhiza inflata with data available. Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2]. Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2].
DehydroglyasperinC
Dehydroglyasperin C is a natural product found in Glycyrrhiza uralensis and Glycyrrhiza aspera with data available. See also: Glycyrrhiza uralensis Root (part of).
Isofutoquinol A
1-Methoxyphaseollidin
1-Methoxyphaseollidin is a member of pterocarpans. 1-Methoxyphaseollidin is a natural product found in Glycyrrhiza aspera with data available.
Valganciclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 2843
1,5-Bis-(2,4-dimethoxy-phenyl)-penta-1,4-dien-3-one
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
1,8,10-trihydroxy-3-methoxy-6-methyl-10-(3-methylbut-2-enyl)anthracen-9-one
4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
C21H22O5_4-[4,6-Dimethoxy-5-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]-1,3-benzenediol
C14H26O10_Propyl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Fusarenone X
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
Sultopride
C17H26N2O4S (354.16131960000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Same as: D08549
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one [IIN-based: Match]
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846725]
Fusarenon-X
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Ala Ala Gly His
Ala Ala His Gly
Ala Gly Ala His
Ala Gly His Ala
Ala His Ala Gly
Ala His Gly Ala
Gly Ala Ala His
Gly Ala His Ala
Gly His Ala Ala
His Ala Ala Gly
His Ala Gly Ala
His Gly Ala Ala
Glyceollin IV
A member of the class of pterocarpans carrying two hydroxy substituents at positions 6a and 9 as well as prenyl and methoxy substituents at positions 2 and 3 respectively.
Xanthogalenol
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 6, a methoxy group at position 4 and a prenyl group at position 3.
Gancaonin I
A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Cymeval
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran
Allithiamine
C15H22N4O2S2 (354.11841119999997)
3'-Methoxyglabridin
Methyl helianthenoate F glucoside
Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside
Isopropyl apiosylglucoside
Boronic Acid, [1-(Triphenylmethyl)-1H-Pyrazol-4-YL
(E)-3-(6-Fluoro-4-hydroxy-2-methylquinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
C20H16F2N2O2 (354.11797799999994)
3-[6-(ETHOXYCARBONYL)-3-ETHYL-2-METHYL-3H-BENZIMIDAZOL-1-IUM-1-YL]PROPANE-1-SULFONATE
C16H22N2O5S (354.12493620000004)
1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
C19H18N2O5 (354.12156580000004)
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators Nomifensine maleate is a selective inhibitor of dopamine uptake, used in adult attention deficit disorder.
4-[carboxy-(3-chloro-phenyl)-methyl]-piperazine-1-carboxylic acid tert-butyl ester hydrochloride
C17H23ClN2O4 (354.13462680000004)
1-BENZYL-4-(4-NITRO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Propanedioic acid,2-(3,4,5-trimethoxybenzoyl)-, 1,3-diethyl ester
Boc-5-Amino-6-chloropyridine-3-boronic acid pinacol ester
cis-1,3-dibenzyl-2-oxo-4,5-imidazolidinedicarboxylic acid
C19H18N2O5 (354.12156580000004)
Thiourea, N-(2,3-dimethylphenyl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)
4-Methyl 1-(2-methyl-2-propanyl) 4-[(trifluoroacetyl)amino]-1,4-p iperidinedicarboxylate
2-Amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbon itrile
C19H18N2O5 (354.12156580000004)
BENZOFURAN-2-YL-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ACETIC ACID
C20H19FN2O3 (354.13796360000003)
1-octyl-2,3-dimethylimidazolium hexafluorophosphate
3-(3-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22N2O5S (354.12493620000004)
3-(4-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H22N2O5S (354.12493620000004)
4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylsulfonyl)morpholine
sodium,[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate
2-CHLORO-3,4-BIS(PIVALOYLOXY)ACETOPHENONE
C18H23ClO5 (354.12339380000003)
(11-Bromoundecyl)(trimethoxy)silane
C14H31BrO3Si (354.12257159999996)
Methyl 4-(4-Boc-1-piperazinyl)-2-chlorobenzoate
C17H23ClN2O4 (354.13462680000004)
Iclaprim
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EA - Trimethoprim and derivatives C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists C254 - Anti-Infective Agent > C258 - Antibiotic
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)cyclopropanesulfonamide
6-(Phthalimidomethyl)-6,11-dihydro-5H-dibenz-[b,e]azepine (PMDAP)
C23H18N2O2 (354.13682079999995)
1-Trityl-1H-imidazole-4-carboxylic acid
C23H18N2O2 (354.13682079999995)
N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(2-ethoxycarbonylsulfanyl-4-hydroxy-1-methyl-but-1-enyl)-formamide
C15H22N4O4S (354.13616920000004)
Acetic acid, 2-[[5-amino-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, methyl ester
C18H18N4O2S (354.11504080000003)
Tilnoprofen arbamel
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Benzoic acid, 4-[1-[(2,4-diaMino-6-pteridinyl)Methyl]-3-butyn-1-yl]-, lithiuM salt (1:1)
3-Deoxy-3-fluoro-D-ribofuranose 1,2-diacetate 5-(4-methylbenzoate)
TERT-BUTYL 4-AMINOSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE HYDROCHLORIDE
C18H27ClN2O3 (354.17101019999996)
Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate
C17H23ClN2O4 (354.13462680000004)
[Glu2]-TRH
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(Glu2)-TRH, a metabolically stable analogue of
2-Diphenylacetyl-1,3-indandione-1-hydrazone
C23H18N2O2 (354.13682079999995)
ETHYL 4-METHYL-2-(N-BOC-PIPERIDIN-4-YL)THIAZOL-5-YL CARBOXYLATE
C17H26N2O4S (354.16131960000007)
5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
Nandrolone hydrogen sulfate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide
C18H24Cl2N2O (354.12655939999996)
1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol
C18H18N4O4 (354.13279880000005)
1-[2-[[3-(2-Cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, cis-
C18H24Cl2N2O (354.12655939999996)
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
(4Z)-2-methoxy-4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
C18H18N4O2S (354.11504080000003)
abyssinone D
A chalcone having hydroxy substituents at positions 4, 2 and 4, a methoxy substituent at position 3 and a 3-methylbut-2-en-1-yl group at position 5. It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
6-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-2,3-dihydrothiazolo[3,2:1,2]pyrimido[5,4-b]indol-5(6H)-one
C18H18N4O2S (354.11504080000003)
3-Hydroxy-6-(hydroxymethyl)-2-[(3-methoxyphenyl)-(2-pyridinylamino)methyl]-4-pyranone
C19H18N2O5 (354.12156580000004)
2-[[3-Methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester
C15H22N4O4S (354.13616920000004)
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide
C18H18N4O4 (354.13279880000005)
N-(2-oxolanylmethyl)-2-(7-oxo-3-phenyl-6-triazolo[4,5-d]pyrimidinyl)acetamide
5-(4-fluorophenyl)-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)furan-2-carboxamide
N-(trans-4-Nitro-4-stilbenyl)-N-methyl-5-amino-pentanoic acid
N-{2-Methyl-5-[(6-Phenylpyrimidin-4-Yl)amino]phenyl}methanesulfonamide
C18H18N4O2S (354.11504080000003)
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
[1-(3-Chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
C17H23ClN2O4 (354.13462680000004)
(1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
C17H26N2O4S (354.16131960000007)
AIDS-096030
(6aS,11aS)-3-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6a,9(11aH)-diol
2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)propane
(1E,2E,4E)-1-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxopyrrolidin-3-ylidene]-4,6-dimethylocta-2,4-dien-1-olate
C21H24NO4- (354.17052440000003)
6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
C22H23FO3 (354.16311399999995)
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 4 and a prenyl group at position 8. It has been isolated from Macaranga bicolor.
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-(prop-2-enyldisulfanyl)pent-2-en-2-yl]formamide
C15H22N4O2S2 (354.11841119999997)
Tephrocandidin A
A monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, a hydroxy group at position 7 and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 8. It has been isolated from the aerial parts of Tephrosia candida.
2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone
C18H24Cl2N2O (354.12655939999996)
N-[2-[oxo-(2-phenoxyethylamino)methyl]phenyl]-2-oxolanecarboxamide
3-[(2-Amino-benzoyl)-hydrazono]-N-benzo[1,3]dioxol-5-yl-butyramide
C18H18N4O4 (354.13279880000005)
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
C19H16F2N4O (354.12921099999994)
1,8,10-Trihydroxy-3-methoxy-6-methyl-10-(3-methylbut-2-enyl)anthracen-9-one
5-[Diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester
C17H26N2O4S (354.16131960000007)
N-[4-(cyanomethyl)phenyl]-4-cyclohexylbenzenesulfonamide
N-[3-[(2-phenyl-4-quinazolinyl)amino]phenyl]acetamide
C22H18N4O (354.14805379999996)
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
C19H18N2O5 (354.12156580000004)
N-hydroxy-N-[(E)-(4-pyridin-2-ylphenyl)methylideneamino]heptanediamide
N-hydroxy-N-[(E)-(4-pyridin-4-ylphenyl)methylideneamino]heptanediamide
N-hydroxy-N-[(E)-(4-pyridin-3-ylphenyl)methylideneamino]heptanediamide
2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(3-fluorophenyl)acetamide
3-(4-oxo-3-quinazolinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
C18H18N4O2S (354.11504080000003)
N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N-[(1E)-(2-hydroxyphenyl)methylene]acetohydrazide
C18H18N4O4 (354.13279880000005)
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
C19H16F2N4O (354.12921099999994)
2-O-methyl-alpha-L-fucopyranosyl-(1->2)-4-O-methyl-beta-D-galactopyranose
3,6-di-O-methyl-beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranose
A disaccharide derivative consisting of alpha-L-rhamnose having a 3,6-di-O-methyl-beta-D-glucosyl residue attached at the 4-position; corresponds to the carbohydrate portion of synthetic antigens containing the Mycobacterium leprae-specific epitope.
1,1,2,2,3,3,4,4-Octamethyl-1,4-bis((methylthio)methyl)tetrasilane
C12H34S2Si4 (354.11789239999996)
2-[(2S,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
C16H22N2O5S (354.12493620000004)
2-[(2S,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
C16H22N2O5S (354.12493620000004)
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
2-[(2R,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
C16H22N2O5S (354.12493620000004)
2-[(2S,3S,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
C16H22N2O5S (354.12493620000004)
2-[(2R,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
C16H22N2O5S (354.12493620000004)
2-[(2R,3R,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
C16H22N2O5S (354.12493620000004)
3-[2-(Hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one
3,4,5-Trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
6-(2-Benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
12-isothiocyanato-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
C17H26N2O4S (354.16131960000007)
4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
methyl (2S)-2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]butanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) octanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) heptanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) hexanoate
1-Pentamethyldisilanyloxy-4-pentamethyldisilanylbenzene
(1S,12S,13S,14R,15E,17S)-15-ethylidene-7-methoxy-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylic acid
Isofezolac
C23H18N2O2 (354.13682079999995)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
alpha-L-Fucp2Me-(1->2)-beta-D-Galp4Me
A disaccharide derivative consisting of a 2-O-methylfucosyl residue joined by an alpha-(1->2)-linkage to a 4-O-methyl-beta-D-galactose.
ER-000444793
C23H18N2O2 (354.13682079999995)
ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening. ER-000444793 inhibits mPTP with an IC50 of 2.8?μM.
Homocarnosine (TFA)
Homocarnosine TFA is a dipeptide of γ-aminobutyric acid (GABA) and histidine unique to brain. Homocarnosine TFA is an inhibitory neuromodulator synthesized in the neuron from GABA and exhibiting anticonvulsant effects[1]. Homocarnosine TFA has antioxidant and anti-inflammatory actions, prevention of DNA damage, and inhibition of advanced glycation end-product formation[2].
KI-7
C23H18N2O2 (354.13682079999995)
KI-7 is an A2B adenosine receptor positive allosteric modulator. KI-7 potentiates the cAMP accumulation induced by the non-selective A2B adenosine receptor agonist NECA (EC50=445.8 nM). KI-7 also potentiates the cAMP accumulation induced by the selective A2B adenosine receptor agonist BAY 60-6583 as well as by adenosine with EC50s of 2390 nM and 2550 nM, respectively[1][2].
MLS1547
MLS1547 is a highly efficacious G protein-biased dopamine D2 receptor (D2R) agonist (Ki=1.2 μM). MLS1547 stimulates D2R G protein-mediated signaling (EC50=0.37 μM in a calcium mobilization assay). MLS1547 acts as an antagonist for dopamine (DA)-stimulated β-arrestin recruitment to the D2R (IC50=9.9 μM)[1][2].