Exact Mass: 276.0796118
Exact Mass Matches: 276.0796118
Found 500 metabolites which its exact mass value is equals to given mass value 276.0796118,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydromethysticin
Dihydromethysticin is found in beverages. Dihydromethysticin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Dihydromethysticin is one of the six major kavalactones found in the kava plant Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
Hamaudol
Hamaudol is a member of chromenes. Hamaudol is a natural product found in Saposhnikovia divaricata, Angelica japonica, and other organisms with data available. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2]. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2].
Flutamide
C11H11F3N2O3 (276.07217319999995)
Flutamide is only found in individuals that have used or taken this drug. It is an antiandrogen with about the same potency as cyproterone in rodent and canine species.Flutamide is a nonsteroidal antiandrogen that blocks the action of both endogenous and exogenous testosterone by binding to the androgen receptor. In addition Flutamide is a potent inhibitor of testosterone-stimulated prostatic DNA synthesis. Moreover, it is capable of inhibiting prostatic nuclear uptake of androgen. CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4302; ORIGINAL_PRECURSOR_SCAN_NO 4299 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4297; ORIGINAL_PRECURSOR_SCAN_NO 4293 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4293; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4279; ORIGINAL_PRECURSOR_SCAN_NO 4275 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4286; ORIGINAL_PRECURSOR_SCAN_NO 4284 CONFIDENCE standard compound; INTERNAL_ID 161; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4299; ORIGINAL_PRECURSOR_SCAN_NO 4298 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8567 CONFIDENCE standard compound; INTERNAL_ID 2350 D000970 - Antineoplastic Agents
Glutamylglutamic acid
Glutamylglutamic acid is a dipeptide composed of two glutamic acid residues, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylglutamic acid is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. KEIO_ID G043; [MS2] KO008970 KEIO_ID G043
Lactucin
Lactucin is found in chicory. Lactucin is a constituent of Cichorium intybus (chicory) Lactucin is a bitter substance that forms a white crystalline solid and belongs to the group of sesquiterpene lactones. It is found in some varieties of lettuce and is an ingredient of lactucarium. It has been shown to have analgesic and sedative properties Constituent of Cichorium intybus (chicory)
Ranunculin
Gamma-glutamylglutamate
gammaGlutamylglutamic acid is made of two glutamic acid molecules. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serves as metabolic fuel or other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: * Damage to mitochondria from excessively high intracellular Ca2+. * Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produces spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization. (http://en.wikipedia.org/wiki/Glutamic_acid) [HMDB] gamma-Glutamylglutamic acid is a dipeptide composed of gamma-glutamate and glutamic acid. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serve as metabolic fuel and other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: (1) damage to mitochondria from excessively high intracellular Ca2+ (2) Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. Glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produce spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization (Wikipedia).
Benzo[ghi]perylene
Indeno[1,2,3-cd]pyrene
Biotin sulfone
Biotin sulfone is a natural biotin metabolite in human urine. (PMID 9039841). The urinary excretion of biotin sulfone a increased with biotin administration. (PMID 9022537). Biotin sulfone is first isolated as a natural metabolite of biotin.
Pentalenolactone
A sesquiterpene lactone that is isolated from several Streptomyces species and exhibits antibiotic activity.
sulfabenzamide
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Clenbuterol
Clenbuterol is only found in individuals that have used or taken this drug. It is a substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. [PubChem]Clenbuterol is a Beta(2) agonist similar in some structural respects to salbutamol. Agonism of the beta(2) receptor stimulates adenylyl cyclase activity which ultimately leads to downstream effects of smooth muscle relaxation in the bronchioles. Potential food contaminant arising from its illicit use to improve carcass quality and productivity in cattle. Approved tocolytic agent for cows in several European countries R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
10-Acetoxytoxol
10-Acetoxytoxol is found in herbs and spices. 10-Acetoxytoxol is a constituent of Helichrysum italicum (curry plant)
Ascochitine
Causes brown rot in broad bean
6-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxy-2H-chromen-2-one
3-(7-methoxy-2-oxo-2H-chromen-8-yl)-2,2-dimethylpropanoic acid
O-Demethylfonsecin
O-Demethylfonsecin is a pigment from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Pigment from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
5-De-O-methyltoddanol
5-De-O-methyltoddanol is found in citrus. 5-De-O-methyltoddanol is a constituent of the stem bark of Citrus grandis (pummelo). Constituent of the stem bark of Citrus grandis (pummelo). 5-De-O-methyltoddanol is found in citrus.
Thymidine glycol
Thymidine glycol belongs to the family of Pyrimidine 2-deoxyribonucleosides and Analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
1-(3-Fluoro-4-hydroxy-5-mercaptomethyltetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
Meisoindigo
Meisoindigo (Dian III), a derivative of Indirubin (HY-N0117), halts the cell cycle at the G0/G1 phase and induces apoptosis in primary acute myeloid leukemia (AML) cells. Meisoindigo exhibits high antitumor activity[1][2].
1-[(3R,4R,5R)-3-Fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
1-Phenyl-1,4-epoxy-1h,4h-naphtho[1,8-de][1,2]dioxepin
Tanshinone I
2-(7'-methylthio)heptylmalate
C12H20O5S (276.10313900000006)
2-(7-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(7-methylthio)heptylmalate can be found in a number of food items such as lima bean, redcurrant, butternut, and green zucchini, which makes 2-(7-methylthio)heptylmalate a potential biomarker for the consumption of these food products.
3-(7'-methylthio)heptylmalate
C12H20O5S (276.10313900000006)
3-(7-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-(7-methylthio)heptylmalate can be found in a number of food items such as teff, babassu palm, corn, and cauliflower, which makes 3-(7-methylthio)heptylmalate a potential biomarker for the consumption of these food products.
TTE-50
Tanshinone I is an abietane diterpenoid. It has a role as an anticoronaviral agent. Tanshinone I is a natural product found in Salvia miltiorrhiza, Salvia digitaloides, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).
3-Chloro-2-oxo-1(10),3,7(11),8-guiatetraen-12,6-olide
7-(3,3-Dimethylallyloxy)-6-hydroxy-5-methoxycoumarin
6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
3-Hydroxy-4-phenyl-1H,3H-naphtho[1,8-cd]pyran-1-one
Ethyl 2-cyano-3-[2-(2-thienyl)tetrahydro-1H-pyrrol-1-yl]acrylate
2-Phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
tanshinone I
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).
URSINOIC ACID
Origin: Plant; SubCategory_DNP: Triterpenoids
6-(2,3-epoxy-1-hydroxy-3methylbut)-7-methoxycoumarin|6-[(3,3-dimethyl-oxiranyl)-hydroxy-methyl]-7-methoxy-chromen-2-one|Lophopterol
8-(1,2-epoxy-3-hydroxy-3-methylbutyl)-7-methoxycoumarin
2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
8beta-hydroxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
3beta-acetoxy-6-acetyl-2alpha-isopropenyl-5-hydroxy-2,3H-benzofuran
(R)-(+)-7-methoxy-8-(2,3-epoxy-3-methylbutoxy)-coumarin
6,8-dihydroxy-7-acetyl-1-keto-3-methoxy-4,4-dimethyl-1,4-dihydronaphthalene
2-(4-Hydroxyphenethyl)-4-hydroxy-6-oxo-1-cyclohexene-1-carboxylic acid
2-(1-Hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
4,7-Benzofurandione, 3-(hydroxymethyl)-6-methoxy-5-(3-methyl-2-butenyl)-
3-Chloro-2-oxo-1(10), 3, 7(11), 8-guiatetraen-12, 6-olide
6,8-dihydroxy-4-methyl-7 h-benz(de) anthracen-7-one
1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-propan|1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane
8-(2,3-epoxy-1-hydroxy-3-methylbutyl)-7-methoxycoumarin
7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone
(6??,8??OH)-6,8-Dihydroxy-3-oxo-1,7(11),9-eremophilatrien-12,8-olide
(R)-4-(1-hydroxy-3-methylbutyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one|antidesnol
4-Methoxy-5-methyl-6-(3-methyl-2-butenyloxy)isobenzofuran-1,3-dione
(S,S)-gamma-glutamyl-(cis-S-1-propenyl)thioglycine|gamma-glutamyl-cis-S-1-propenyl-L-cysteine
(9betaH)-1alpha,4alpha-dihydroxy-10-oxo-1,10-seco-1(10->9)abeoguaia-2,5,7(11)-trien-12,8beta-olide|millifolide C
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9-methylenedioxy-10-methoxy-6,11-benzocycloheptan-1-one|gymnothedelignan A
(2?R,4aR,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-4,4a,9,9a-tetrahydro-2H-spiro[naphtho[2,3-b]furan-5,2?-oxirane]-2,6(8aH)-dione|linderolide J
smiglabrol|threo-5-[1-hydroxy-2-(4-hydroxyphenyl)-2-methoxyethyl] benzene-1,3-diol
(5S,6S)-(+)-5-hydroxy-4,6-dimethoxy-6-trans-styryl-5,6-dihydro-2H-pyran-2-on
5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-2-methyl-4H-1-benzopyran-4-one
2-Oxo-4-(3,4-dihydroxyphenethyl)-2H-pyran-6-carboxylic acid
2-Chloro-7-hydroxy-3-methoxy-1,9-dimethyldibenzofuran
1,3-dihydroxy-10-(ethoxycarbonyl)benzotropolone|ethyl 2,4,6-trihydroxy-5-oxo-5H-benzo[b]cycloheptene-8-carboxylate|goupiolone A
8-(2-hydroxy-3-methylbut-3-enyloxy)-7-methoxycoumarin
6-carboxy-7-isobutyryloxy-coumarin|6-Carboxy-7-isobutyryloxy-cumarin|6-carboxy-7-isobutyryloxycoumarin
5-methoxy-7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-5-methoxy-coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-5-methoxy-chromen-2-one
(()-Nieshoutol|6-hydroxy-5-methoxy-8,9,9-trimethyl-8,9-dihydro-furo[2,3-h]chromen-2-one|Nieshoutol
1H-Dibenzo(de,g)quinolin-1-one, 7-amino-2-methoxy-
Dendrocandin E
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3, 4 and 4 and a methoxy group at position 5. It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
3-carboxy-10-(methylsulfanyl)-2-oxodecanoate
C12H20O5S (276.10313900000006)
6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and (2,4-dihydroxy-6-methylphenyl)-2-oxoethyl groups respectively.
dian III
Meisoindigo (Dian III), a derivative of Indirubin (HY-N0117), halts the cell cycle at the G0/G1 phase and induces apoptosis in primary acute myeloid leukemia (AML) cells. Meisoindigo exhibits high antitumor activity[1][2].
Murrangatin
(-)-Minumicrolin is a natural product found in Murraya paniculata with data available.
clenbuterol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3592 CONFIDENCE standard compound; INTERNAL_ID 1099
Capensine
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.051
flutamide
C11H11F3N2O3 (276.07217319999995)
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000970 - Antineoplastic Agents
(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
C14H12O6_Spiro[cyclopent-4-ene-1,1(3H)-isobenzofuran]-3,3-dione, 2,4-dihydroxy-6-methoxy-5-methyl
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxopropanoic acid
Lactucin
An azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory.
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one [IIN-based: Match]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848547]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based: Match]
Biotin sulfone
A member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide. Biotin sulfone is first isolated as a natural metabolite of biotin.
5-De-O-methyltoddanol
Thymidine glycol
2-(4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-3-YL)ACETIC ACID
2-(4-CHLORO-2-METHOXY-[1,1-BIPHENYL]-4-YL)ACETIC ACID
methyl 3-(benzoylamino)-2-cyano-3-(methylthio)acrylate
4-CHLORO-7-ISOPROPOXY-6-METHOXYQUINOLINE-3-CARBONITRILE
[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
ethyl 4-hydroxy-5,8-dimethoxynaphthalene-2-carboxylate
2-(2-CHLORO-5-METHOXY-[1,1-BIPHENYL]-4-YL)ACETIC ACID
Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate
Benzoic acid,4-chloro-, 1-(4-methoxyphenyl)hydrazide
N-(4-methoxyphenyl)benzene-1,4-diamine; sulfuric acid
1,2:3,4-Di-O-isopropylidene-6-thio-a-D-galactopyranose
C12H20O5S (276.10313900000006)
2-(2-ETHYL-PYRIDIN-4-YL)-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl-2-methyl-4-(2-chlorophenyl)-5-pyrimidine carboxylate
ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
ETHYL5-AMINO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
Ethyl 2-[4-(dimethylamino)phenyl]-1,3-thiazole-4-carboxylate
2-[2-(4-acetylanilino)-1,3-thiazol-4-yl]acetic acid
METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
1,4,5,6-TETRAHYDRO-2-METHYL-4-(2-NITROPHENYL)-6-OXO-3-PYRIDINECARBOXYLIC ACID
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(NITRO)PHENYL]-3-PYRIDINECARBOXYLIC ACID
7-(hydroxymethyl)-4,9-dimethoxyfuro[3,2-g]chromen-5-one
1,1-[(E)-1,2-Difluoro-1,2-ethenediyl]bis(4-methoxybenzene)
Ethyl 2-(4-chlorophenyl)-4-methyl-5-pyrimidinecarboxylate
phenyl N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamate
4-HYDROXY-6-METHYL-QUINOLINE-3-CARBOXYLICACIDETHYLESTER
1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
TERT-BUTYL (2-CHLORO-5-FLUORO-6-METHOXYPYRIDIN-3-YL)CARBAMATE
methyl (E)-3-(furan-2-yl)-2-[(2-hydroxy-6-oxocyclohexen-1-yl)methyl]prop-2-enoate
2-SULFO-1,4-BENZENEDICARBOXYLIC ACID 1,4-DIMETHYL ESTER, SODIUM SALT
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
Benzenesulfonic acid,4-methyl-, 2-phenylethyl ester
4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
β-Alanine,N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]- (9CI)
N-[3-[(Dimethylamino)methylene]-3,4-dihydro-4-oxo-2H-1-benzothiopyran-6-yl]acetamide
ETHYLENEDIAMINE-N,N-DIPROPIONIC ACID DIHYDROCHLORIDE
C8H18Cl2N2O4 (276.06435680000004)
1,14-DIMETHYL-4,10-DIOXATETRACYCLO[5.5.2.0(2,6).0(8,12)]TETRADEC-13-ENE-3,5,9,11-TETRAONE
3-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDO[3,4-E][1,2,4]TRIAZINE
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
((3aR,4S,5R,6aS)-5-hydroxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl benzoate
3-(Aminomethyl)-4-chloro-N-isobutylbenzamide hydrochloride
METHYL 4-HYDROXY-1-(4-METHOXYPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLATE
4-(2-Fluoro-4-nitrophenoxy)piperidine hydrochloride
2,4-Difluorophenyl-(4-piperidinyl) methanone oxime hydrochloride
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
2H-Isoindole-2-aceticacid, a-(3-amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-,(aS)-
ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBONYL CHLORIDE
ETHYL 7-METHOXYIMIDAZO[2,1-B]BENZOTHIAZOLE-2-CARBOXYLATE
N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]MORPHOLINE
C11H11F3N2O3 (276.07217319999995)
Oxifungin hydrochloride
C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
(5-hydroxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
2-[(3-Ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester
2-{[(4-Methoxybenzoyl)oxy]ethanimidoyl}-1,3-thiazole
3-Phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-2,5-dione
3-(2-Hydroxy-4-methoxy-6-methylphenoxy)-5-methylcatechol
7H-Furo[3,2-g][1]benzopyran-7-one, 4,5,6-trimethoxy-
N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
2H-1-Benzopyran-2-one, 7-[(3,3-dimethyloxiranyl)methoxy]-6-methoxy-
Dimethyl 7-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-6,8-dicarboxylate
1-{[N-(1-Imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
Thiamylal sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Tanshinon I
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM). Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).
2-(7-Methylsulfanylheptyl)-3-oxobutanedioic acid
C12H20O5S (276.10313900000006)
4-(7-Hydroxy-5-methyl-4-oxochromen-2-yl)-3-oxobutanoic acid
2,3-Dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
2-(2,4-Dihydroxy-6-methylbenzoyl)benzene-1,3,5-triol
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate
2,3-Bis(acetylamino)-2,3-dideoxy-alpha-D-mannopyranuronic acid
(1S,4aR,9aS)-7,8-dimethyl-3-oxospiro[4,4a,6a,7-tetrahydropentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
1-[(3R,4R,5R)-3-Fluoro-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
Sulfanyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
1-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxyacetamide
Dehydrocitreoisocoumarin
A member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2,4-dioxopentyl group at position 3 and by hydroxy groups at positions 6 and 8.
2-[2-Hydroxy-3-(3-hydroxyphenyl)propyl]benzene-1,3,5-triol
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2-)
3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[f]chromen-1-one
N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide
3,4,5-Trihydroxy-6-(3-methylbut-2-enoyloxy)oxane-2-carboxylic acid
8-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-7-methoxychromen-2-one
3,4,5-trihydroxy-6-[(E)-2-methylbut-2-enoyl]oxyoxane-2-carboxylic acid
8-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-7-methoxychromen-2-one
[4-(3-Hydroxybutyl)-2-methoxyphenyl] hydrogen sulate
4-(4-Hydroxy-3-methoxyphenyl)butan-2-yl hydrogen sulate
6-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
Dihydromethysticin
Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
2-[4-(3,4-Dihydroxyphenyl)-3-fluorophenyl]propanoic acid
3-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-oxopropanoic acid
gamma-Glu-Glu
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of another glutamic acid.
YWA1
A heptaketide that is 2,3-dihydro-4H-benzo[g]chromen-4-one bearing a methyl substituent at position 2 and four hydroxy substituents at positions 2, 5, 6 and 8.
PT-262
PT-262 is a potent ROCK inhibitor with an IC50 value of around 5 μM. PT-262 induces the loss of mitochondrial membrane potential and elevates the caspase-3 activation and apoptosis. PT-262 inhibits the ERK and CDC2 phosphorylation via a p53-independent pathway. PT-262 blocks cytoskeleton function and cell migration. PT-262 has anti-cancer activity[1][2].