Exact Mass: 382.1641
Exact Mass Matches: 382.1641
Found 500 metabolites which its exact mass value is equals to given mass value 382.1641
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Licoricone
Licoricone is a hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6, methoxy groups at positions 2 and 4 and a prenyl group at position 3. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite and an antibacterial agent. It is a hydroxyisoflavone and a member of 4-methoxyisoflavones. It is functionally related to an isoflavone. Licoricone is a natural product found in Glycyrrhiza, Apis cerana, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). A hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6, methoxy groups at positions 2 and 4 and a prenyl group at position 3. It has been isolated from Glycyrrhiza uralensis. Licoricone is found in herbs and spices. Licoricone is a constituent of the root of Glycyrrhiza uralensis (Chinese licorice)
Furathiocarb
Hydroxysenkirkine
N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine
N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine is a chitobiose consisting of D-glucosamine having an N-acetyl-beta-D-glucosaminyl residue attached at the 4-position. It is functionally related to a beta-D-glucosaminyl-(1->4)-D-glucosamine. It is a conjugate base of a N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosaminium(1+).
5-Amino-5-(4-hydroxybenzyl)-6-(D-ribitylimino)-5,6-dihydrouracil
(3R)-3-hydroxy-16-methoxy-1,2-didehydro-2,3-dihydrotabersonine
loratadine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 1237; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9214; ORIGINAL_PRECURSOR_SCAN_NO 9211 CONFIDENCE standard compound; INTERNAL_ID 1237; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9220; ORIGINAL_PRECURSOR_SCAN_NO 9219 CONFIDENCE standard compound; INTERNAL_ID 1237; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9231; ORIGINAL_PRECURSOR_SCAN_NO 9229 CONFIDENCE standard compound; INTERNAL_ID 1237; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9245; ORIGINAL_PRECURSOR_SCAN_NO 9242 CONFIDENCE standard compound; INTERNAL_ID 1237; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9255; ORIGINAL_PRECURSOR_SCAN_NO 9250 CONFIDENCE standard compound; INTERNAL_ID 1237; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9266; ORIGINAL_PRECURSOR_SCAN_NO 9264 CONFIDENCE standard compound; INTERNAL_ID 2268 Loratadine (SCH-29851) is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 μM. Loratadine has anti-dengue-virus (DENV) activity. Loratadine can inhibit immunologic release of inflammatory mediators.
Tofisopam
Tofisopam (marketed under brand names Emandaxin and Grandaxin) is a 2,3-benzodiazepine drug which is a benzodiazepine derivative. In contrast to classical 1,4-benzodiazepines, the compound does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor and its psychopharmacological profile differs from such compounds. Although Tofisopam is not approved for sale in North America, it is approved for use in various countries worldwide, including parts of Europe. The D-enantiomer (dextofisopam) is currently in phase II trials in the U.S. for the treatment of irritable bowel syndrome. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Loratadine
desloratadine is available off the shelf in Canada); Loratadine is a tricyclic antihistamine, which has a selective and peripheral H1-antagonist action. It has a long-lasting effect and does not normally cause drowsiness because it does not readily enter the central nervous system; An antiviral that is used in the prophylactic or symptomatic treatment of influenza A. It is also used as an antiparkinsonian agent, to treat extrapyramidal reactions, and for postherpetic neuralgia. The mechanisms of its effects in movement disorders are not well understood but probably reflect an increase in synthesis and release of dopamine, with perhaps some inhibition of dopamine uptake; Loratadine is a drug used to treat allergies. It is marketed by Schering-Plough under several trade names such as Claritin, Clarityn or Claratyne depending on the market, by Lek as Lomilan and by Wyeth as Alavert. It is also available as a generic; Loratadine is a drug used to treat allergies. It is marketed by Schering-Plough under several trade names such as Claritin, Clarityn or Claratyne depending on the market, by Lek as Lomilan and by Wyeth as Alavert. It is also available as a generic. Its active metabolite, desloratadine, is also on the market, though loratadine itself is the only drug of its class available over the counter (at least in the U.S. as of 2005. Loratadine is available off the shelf in the UK. desloratadine is available off the shelf in Canada); Loratadine is a tricyclic antihistamine, which has a selective and peripheral H1-antagonist action. It has a long-lasting effect and does not normally cause drowsiness because it does not readily enter the central nervous system; An antiviral that is used in the prophylactic or symptomatic treatment of influenza A. It is also used as an antiparkinsonian agent, to treat extrapyramidal reactions, and for postherpetic neuralgia. The mechanisms of its effects in movement disorders are not well understood but probably reflect an increase in synthesis and release of dopamine, with perhaps some inhibition of dopamine uptake; Loratadine is a drug used to treat allergies. It is marketed by Schering-Plough under several trade names such as Claritin, Clarityn or Claratyne depending on the market, by Lek as Lomilan and by Wyeth as Alavert. It is also available as a generic; Loratadine is a drug used to treat allergies. It is marketed by Schering-Plough under several trade names such as Claritin, Clarityn or Claratyne depending on the market, by Lek as Lomilan and by Wyeth as Alavert. It is also available as a generic. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Loratadine (SCH-29851) is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 μM. Loratadine has anti-dengue-virus (DENV) activity. Loratadine can inhibit immunologic release of inflammatory mediators.
7alpha,8alpha-Dihydroxycalonectrin
7alpha,8alpha-Dihydroxycalonectrin is a mycotoxin from Fusarium culmorum and Fusarium roseum. Mycotoxin from Fusarium culmorum and Fusarium roseum
Kanzonol O
Kanzonol O is found in herbs and spices. Kanzonol O is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol O is found in herbs and spices.
4,8-Diacetyl-T2-tetrol
4,8-Diacetyl-T2-tetrol is a mycotoxin produced by Fusarium sporotrichioides, Fusarium tricinctum and Haemophilus parainfluenzae. Mycotoxin production by Fusarium sporotrichioides, Fusarium tricinctum and Haemophilus parainfluenzae D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Glycyrin
Glycyrin is found in root vegetables. Glycyrin is isolated from roots of Glycyrrhiza sp. (licorice). Isolated from roots of Glycyrrhiza species (licorice). Glycyrin is found in root vegetables.
Artocarpetin B
Artocarpetin B is found in fruits. Artocarpetin B is a constituent of Artocarpus heterophyllus (jackfruit). Constituent of Artocarpus heterophyllus (jackfruit). Artocarpetin B is found in jackfruit and fruits.
Cyclocalopin B
Cyclocalopin B is found in mushrooms. Cyclocalopin B is isolated from Boletus calopus and other Boletus species. Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin B is found in mushrooms.
Ibuprofen glucuronide
Ibuprofen glucuronide (CAS: 115075-59-7) is a natural human metabolite of ibuprofen generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs, or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
Eletriptan
Eletriptan is only found in individuals that have used or taken this drug. It is a second generation triptan drug developed by Pfizer Inc for the treatment of migraine headaches. [Wikipedia]Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors, and little or no affinity for 5-HT2A, 5-HT2C, 5-HT3, 5-HT4, 5-HT5A and 5-HT6 receptors. Eletriptan has no significant affinity or pharmacological activity at adrenergic alpha1, alpha2, or beta; dopaminergic D1 or D2; muscarinic; or opioid receptors. Two theories have been proposed to explain the efficacy of 5-HT receptor agonists in migraine. One theory suggests that activation of 5-HT1 receptors located on intracranial blood vessels, including those on the arteriovenous anastomoses, leads to vasoconstriction, which is correlated with the relief of migraine headache. The other hypothesis suggests that activation of 5-HT1 receptors on sensory nerve endings in the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside is found in herbs and spices. 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). trans-1,2,10-Trihydroxydihydrolinalyl oxide 7-glucoside is found in herbs and spices.
1,4-Bis((o-tolyloxy)acetyl)piperazine
(E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid
6-Deoxy-4-O-(3,6-di-O-methyl-beta-D-glucopyranosyl)-2,3-di-O-methyl-alpha-L-mannopyranose
1-(2,3-Bis((4-methoxyphenyl)methoxy)propyl)-1H-imidazole
Corynoxeine
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Ibuprofen Acyl-beta-D-glucuronide
Neosolaniol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3-Hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
1ST159055
Isocorynoxeine is a natural product found in Uncaria tomentosa, Mitragyna parvifolia, and other organisms with data available. See also: Cats Claw (part of). Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM. Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM. Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM.
27KIC0Q2VA
Corynoxeine is a natural product found in Uncaria tomentosa, Mitragyna inermis, and other organisms with data available. See also: Cats Claw (part of). Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation. Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation. Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation.
Gelsempervine A
[5aR-(5aalpha,6alpha,8alpha,9beta,9abeta,9balpha)]-8-(Acetyloxy)-3-[(acetyloxy)methyl]-5,5a,6,7,8,9,9a,9b-octahydro-6,9-dihydroxy-5a,9-dimethylnaphtho[1,2-b]furan-2(4H)-one
(3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate
Artocarpetin B
Glycyrin
A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity.
Licoricone
ADB-FUBINACA
(6aR,9R,9aR)-9-Acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6a-methyl-9,9a-dihydro-6H-furo[2,3-H]isochromene-6,8(6aH)-dione
1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.921 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.919 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.915 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.913
4-(3,4,8,9-Tetrahydro-8-isopropenyl-5-methoxy-6-methyl-2H-furo[2,3-h]-1-benzopyran-3-yl)-3-methoxyphenol
2,6-Dihydroxy-4-[(E)-5-hydroxy-3,7-dimethylocta-2,7-dienyloxy] benzophenone|2,6-dihydroxy-4-[(E)-5-hydroxy-3,7-dimethylocta-2,7-dienyloxy]benzophenone
5-methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-propyl-2H,8H-benzo[1,2-b,3,4-b]dipyran-8-one|5-Methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-propyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-8-one|5-Methoxy-2,2-dimethyl-6-<(E)-2-methylbut-2-enoyl>-10-propyl-2H,8H-benzo<1,2-b:3,4-b>dipyran-8-one|GUT-70
6-acetyl-3-(3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one|rotiorinol A
6alpha-phenylacetoxy-4beta,5alpha-epoxygermacra-1(10)E,11-dien-8alpha,12-olide
3-(2-Hydroxy-7-methyl-3-methylene-6-octenyl)-2,4,6-trihydroxybenzophenone
(S)-2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|mepuberin
(1S,2S,4R,5S,6R,7S,8R,9R,10S)-2,6-diacetoxy-4,9-dihydroxyguai-11(13)-en-8,12-olide
Egonolpropanoate
A fatty acid ester obtained by the formal condensation of egonol with propionic acid. It has been isolated from the fruits of Styrax agrestis.
(+/-)-5,4-dihydroxy-2-methoxy-6,6-dimethylpyrano(2,3:7,8)-6-methylflavanone
yadanziolide V
A quassinoid isolated from he ethanol extract of the stem of Brucea mollis.
3alpha-acetoxy-5beta-(4-acetoxytigloyloxy)-7-hydroxycarvotanacetone
3alpha-acetoxy-5beta-(4-hydroxytigloyloxy)-7-acetoxycarvotanacetone
hyperinakin|phenyl(2,4,6-trihydroxy-3-((3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl)methyl)phenyl)methanone
8,9-dihydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)pterocarpene|hirtellanine E
2-Methoxy-6,7-dimethyl-8-(2,4,5-trimethoxyphenyl)naphthalene-1,4-dione
deglycocadambine|methyl (4R,4aS,5S,14bS,15aS)-4a,5,6,8,9,14,15,15a-octahydro-4-hydroxy-8H-5,14b-epoxypyrano[4??,3??: 4?,5?]azepino[1?,2?: 1,2]pyrido[3,4-b]indole-1-carboxylate
amyl-1-O-beta-D-apiofuranosyl-1,6-O-beta-D-glucopyranoside
1,2-butanediol 1-O-beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?ethyl-2?,3?-dihydroxybutyrate|microtropin F
3,4-dimethoxy-7-(gamma,gamma-dimethylallyloxy)flavonol
alisiaquinone B
A heteropentacyclic compound that is the 9-methoxy derivative of alisiaquinone A. An antiplasmodial drug isolated from New Caledonian deep water sponge.
(1R*,4R*,8S*,10R*)-1,4-epoxy-1,13-dimethoxy-8-hydroxy-10-acetoxygermacra-5E,7(11)-dien-6,12-olide
2alpha,5alpha-diacetoxy-10beta-hydroperoxy-germacra-3Z,11(13)dien-12,8alpha-olide
(E)-3-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-2,4,6-trihydroxybenzophenone
(+)-8-acetyl-13-O-ethyl-piptocarphol|1alpha,10alpha-dihydroxy-8alpha-acetoxy-13-ethoxyhirsutinolide
(1R*,4R*,8S*,10R*)-1,4-epoxy-1,13-dimethoxy-8-acetoxy-10-hydroxygermacra-5E,7(11)-dien-6,12-olide
4beta-(hydroxymethyl)-3beta,4alpha-dihydroxy-8alpha-[(S)-3-hydroxy-2-methylenepropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH,11betaH,11alpha-methylguaia-10(14)-en-6,12-olide|ramosine
(9aR)-9a-Methyl-3-octanoyl-6-trans-propenyl-9aH-furo[3,2-g]isochromen-2,9-dion|(9aR)-9a-methyl-3-octanoyl-6-trans-propenyl-9aH-furo[3,2-g]isochromene-2,9-dione|(R-(E))-9a-methyl-3-(1-oxooctyl)-6-(1-propenyl)-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione|Monascorubrin
1-beta-hydroxy-8-O-(4-hydroxybutyroyl)-onopordic acid
3beta,4beta,5-trimethoxy-6,6-dimethyl-2H-pyrano-(2,3:7,6)-flavan|3beta-methoxyxuulanin|3??-Methoxyxuulanin
Methyl 1,2-didehydro-6,7-epoxy-3-hydroxy-8-oxoaspidospermidine-3-carboxylate
MLS000876965-01!(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
2,3-dihydro-2,2-dimethyl-7-benzofuryl 2,4-dimethyl-6-oxa-5-oxo-3-thia-2,4-diazadecanoate
C23H26O5_6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9,9a-dihydro-6a-methyl-, (6aR,9R,9aR)
Furathiocarb
Gly Gly Ser Tyr
Gly Gly Tyr Ser
Gly Ser Gly Tyr
Gly Ser Tyr Gly
Gly Tyr Gly Ser
Gly Tyr Ser Gly
Ser Gly Gly Tyr
Ser Gly Tyr Gly
Ser Tyr Gly Gly
Tyr Gly Gly Ser
Tyr Gly Ser Gly
Tyr Ser Gly Gly
1-(alpha-methyl-4-(2-methylpropyl)benzeneacetate) b-D-Glucopyranuronic acid
Eletriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-b-D-glucopyranoside
7,8-Dihydroxycalonectrin
Cyclocalopin B
Kanzonol O
Valepotriate
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
Methyl 4-(benzyloxy)-5,6,7-trimethoxy-2-naphthoate
4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline,dihydrochloride
Ethyl 5-(benzyloxy)-4-hydroxy-7,8-dimethoxy-2-naphthoate
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-chlorophenyl)-N-cyclopentyl- (9CI)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-chlorophenyl)-N-cyclopentyl- (9CI)
[4-[4-(2,2-dimethylpropanoyloxy)benzoyl]phenyl] 2,2-dimethylpropanoate
Talnetant
Talnetant (SB 223412) is a selective, competitive, brain-permeable NK3 receptor antagonist with a Ki of 1.4 nM in hNK-3-CHO cells. Talnetant is 100-fold more selective for hNK-3 relative to the hNK-2 receptor and has no affinity for hNK-1. Talnetant can be used in schizophrenia-related studies[1][2][3].
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]- (9CI)
Ethyl 6-deoxy-2-O-(phenylmethyl)-1-thio-beta-L-galactopyranoside diacetate
3-[4-[4-(2-METHOXYPHENYL)PIPERIDINO]-3-NITROPHENYL]ACRYLIC ACID
Gdc-0084
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
1-((2-Hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1H,3H)-dione
n-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
N-Ethyl-4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methylpyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
(E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid
5-Chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol
Rotiorinol A
An azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity.
2-[1-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propan-2-yl]-1H-benzimidazole
Ethyl 5-cyano-6-[4-(4-methoxyphenyl)piperazino]-2-oxo-1,2-dihydro-3-pyridinecarboxylate
2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
ML192 is a selective ligand antagonist of GPR55. ML192 inhibits the β-arrestin trafficking, ERK1/2 phosphorylation and PKCβII translocation[1].
4-[4-(4-methylbenzoyl)piperazino]-3-nitrobenzenecarbaldehyde O-methyloxime
2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
2-{5-[Amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-YL}-6-[(2-methylcyclohexyl)oxy]benzenolate
2,5-Bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol
2-O-(3-Amidinophenyl)-5-O-(4-amidinophenyl}-1,4:3,6-dianhydro-D-sorbitol
2,5-O,O-Bis-{4,4-amidinophenyl}-1,4:3,6-dianhydro-D-sorbitol
2-O-(4-Amidinophenyl)-5-O-(3-amidinophenyl)-1,4:3,6-dianhydro-D-sorbitol
8-Hydroxydiacetoxyscirpenol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
[(1R,2R,3S,4R,10R)-10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl]methyl acetate
(2S,5S)-6-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2,5-bis(azaniumyl)hexanoate
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-glucopyranuronic acid
(1E,6E)-1-(3,4-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
6-Deoxy-4-O-(3,6-di-O-methyl-beta-D-glucopyranosyl)-2,3-di-O-methyl-alpha-L-mannopyranose
19(E)-18-Demethoxygardfloramine-N(4)-oxide
A natural product found in Gardneria ovata.
N-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine
A chitobiose consisting of N-acetyl-D-glucosamine having a beta-D-glucosaminyl residue attached at the 4-position.
N-[(2-methoxyphenyl)methyl]-6H-indolo[2,3-b]quinoxaline-2-carboxamide
1-(2-Cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
1-[(6-Methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)acetamide
2-(4-cyanophenoxy)-N-(2-methyl-1-phenyl-5-benzimidazolyl)acetamide
2-[3-[(4-methylphenyl)methyl]-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide
2-(3-methyl-1-oxo-2-isoquinolinyl)-N-(3,4,5-trimethoxyphenyl)acetamide
1-[5-[[Anilino(oxo)methyl]amino]-1,3-dimethyl-2-oxo-4-imidazolidinyl]-3-phenylurea
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione
(E)-3-(4-Methoxy-phenyl)-N-(4-pyridin-2-yl-piperazine-1-carbothioyl)-acrylamide
2-Ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
1-Ethyl-4-[[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-2-pyrrolidinone
2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[2-(methylthio)phenyl]acetamide
N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
The beta-anomer of N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine.
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
[(1R,5S)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyrazin-2-ylmethanone
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-glucosamine
The alpha-anomer of N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine.
dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyridine-3,5-dicarboxylate
dimethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyridine-3,5-dicarboxylate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) octanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) heptanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) nonanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) decanoate
2,5,7,8-Tetramethyl-2-[2-[(1H-benzimidazol-2-yl)thio]ethyl]chroman-6-ol
(1R,4Z,6R,7S,17S)-4-ethylidene-7,17-dihydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
5-Amino-5-(4-hydroxybenzyl)-6-((2,3,4,5-tetrahydroxypentyl)amino)dihydropyrimidine-2,4-dione
N-monoacetylchitobiose
A chitobiose consisting of D-glucosamine having an N-acetyl-beta-D-glucosaminyl residue attached at the 4-position.
4,8-Diacetyl-T2-tetrol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
beta-D-Glup3,6Me2-(1->4)-alpha-L-Rhap2,3-Me2
A disaccharide derivative consisting of 2,3-di-O-methyl-alpha-L-rhamnose having a 3,6-dimethyl-alpha-D-arabino-hexosyl residue attached at the 4-position.
DRB18
DRB18 is a potent pan-class GLUT inhibitor. DRB18 alters energy-related metabolism in A549 cells by changing the abundance of metabolites in glucose-related pathways. DRB18 can eventually lead to G1/S phase arrest and increase oxidative stress and necrotic cell death. DRB18 has anti-tumor activity[1].
Roxindole (hydrochloride)
Roxindole hydrochloride (EMD 38362), an indot-alkyl-pipenidine, is a potent agonist at dopamine autoreceptors, with an affinity for the D2-like subtype in the low nanomolar range. Roxindole can be used for the research of positive and negative schizophrenic symptoms. Roxindole is a 5-HT1A agonist and 5-HT uptake inhibitor with high affinity for 5-HT1A (IC50=0.9 nM). Antipsychotic and antidepressant activities[1][2][3].
2-bromo-1-methyl-4-{3-[6-methyl-3-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-yl]prop-1-en-2-yl}cyclohexan-1-ol
9a-methyl-3-octanoyl-6-(prop-1-en-1-yl)furo[3,2-g]isochromene-2,9-dione
(6ar)-9-acetyl-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
(3s)-7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-5-methoxy-3,4-dihydro-2h-1-benzopyran-8-carbaldehyde
4-(ethoxymethyl)-12-hydroxy-8,12-dimethyl-3,9-dioxo-2,14-dioxatricyclo[6.5.1.0¹,⁵]tetradec-4-en-6-yl acetate
5-methoxy-2,2-dimethyl-6-(2-methylbut-2-enoyl)-10-propylpyrano[2,3-h]chromen-8-one
(3as,4r,4as,5r,7s,7as,8s,9r,9ar)-7-(acetyloxy)-5,9-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
(1r,2r,5'r)-1,1',5',8-tetrahydroxy-3',6-dimethyl-2,3,6',7'-tetrahydro-1h,5'h-[2,2'-binaphthalene]-4,8'-dione
(1'r,2s,2'r,3'r,7'r,10'r,11's)-11'-(acetyloxy)-3',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
(5r)-3-hydroxy-4-(4-hydroxyphenyl)-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5h-furan-2-one
(2r,3r,4s,5s,6r)-2-[(2r)-pentan-2-yloxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r)-5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-6,8,8-trimethyl-2h,3h-pyrano[2,3-f]chromen-4-one
(1r,2s,4r,7r,8r,9s,10r,11r,12s)-7,8,10,11-tetrahydroxy-2,9,12-trimethyl-2-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-5-oxatricyclo[6.3.1.0⁴,¹²]dodecan-6-one
4'-(acetyloxy)-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate
(1s,2r,11s,15s,16s,17s)-2,7,15,17-tetrahydroxy-5-methoxy-11-methyl-10,19-dioxatricyclo[14.2.1.0³,⁸]nonadeca-3,5,7-trien-9-one
(1s,5r,6r)-5-(acetyloxy)-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl 4-(acetyloxy)-2-methylbut-2-enoate
2-[3-hydroxy-2-(3-methylbut-2-en-1-yl)benzoyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol
4-chloro-3-ethenyl-3,7,7,10-tetramethyl-2-(methylideneamino)-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione
(3r,4s,7r,8r,10s,12r)-7-bromo-4,8,16,16-tetramethyl-15-methylidene-11-oxatetracyclo[10.3.1.0¹,¹⁰.0³,⁸]hexadecan-4-ol
2-bromo-4-[4-(2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl)-4-hydroxybut-2-en-2-yl]-1-methylcyclohexan-1-ol
7-benzoyl-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-4,6-diol
(2r,3r)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-3-yl acetate
(1as,1br,3r,3ar,5s,7br,9ar)-5-[(1r)-1-bromo-2-hydroxyethyl]-1a,5,7b-trimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-3-ol
2,6-dihydroxy-4-[(e)-5-hydroxy-3,7-dimethyl-octa-2,7-dienyloxy] benzophenone
{"Ingredient_id": "HBIN004880","Ingredient_name": "2,6-dihydroxy-4-[(e)-5-hydroxy-3,7-dimethyl-octa-2,7-dienyloxy] benzophenone","Alias": "NA","Ingredient_formula": "C23H26O5","Ingredient_Smile": "CC(=C)CC(CC(=CCOC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O)C)O","Ingredient_weight": "382.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5907","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11338042","DrugBank_id": "NA"}
anonocine
{"Ingredient_id": "HBIN016259","Ingredient_name": "anonocine","Alias": "NA","Ingredient_formula": "C19H28NO7+","Ingredient_Smile": "CC1CC(=CCO)C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36195","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}