Exact Mass: 382.1562
Exact Mass Matches: 382.1562
Found 500 metabolites which its exact mass value is equals to given mass value 382.1562
,
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)
Farnesyl pyrophosphate
Farnesyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. -- Wikipedia [HMDB]. Farnesyl pyrophosphate is found in many foods, some of which are kumquat, macadamia nut, sweet bay, and agave. Farnesyl pyrophosphate is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. -- Wikipedia.
Furathiocarb
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
2-cis,6-cis-farnesyl diphosphate
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.
(2Z,6E)-Farnesyl diphosphate
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
(E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid
Diphosphoric acid,P-(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester
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
[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
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
Cys Phe Gly Gly
Cys Gly Phe Gly
Cys Gly Gly Phe
Phe Cys Gly Gly
Phe Gly Cys Gly
Phe Gly Gly Cys
Gly Cys Phe Gly
Gly Cys Gly Phe
Gly Phe Cys Gly
Gly Phe Gly Cys
Gly Gly Cys Phe
Gly Gly Phe Cys
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
2-trans,6-cis-farnesyl diphosphate
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
7,8-Dihydroxycalonectrin
Cyclocalopin B
Kanzonol O
Valepotriate
farnesyl diphosphate
The trans,trans-stereoisomer of farnesyl diphosphate.
(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)
(1s,4s)-(+)-2-isobutyl-2,5-diaza-bicyclo[2.2.1]heptane dihydrochloride
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-chlorophenyl)-N-cyclopentyl- (9CI)
[4-[4-(2,2-dimethylpropanoyloxy)benzoyl]phenyl] 2,2-dimethylpropanoate
POLY(ETHYLENE ADIPATE), TOLYLENE 2,4-DIISOCYANATE TERMINATED
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].
2-Hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide
Ethyl 6-deoxy-2-O-(phenylmethyl)-1-thio-beta-L-galactopyranoside diacetate
3-[4-[4-(2-METHOXYPHENYL)PIPERIDINO]-3-NITROPHENYL]ACRYLIC ACID
6-(5-BENZYLTHIOPHEN-2-YL)-N-(2,2-DIMETHOXYETHYL)NICOTINAMIDE
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
1-(6-Cyano-3-pyridylcarbonyl)-5,8-difluorospiro[piperidine-4,2(1H)-quinazoline]-4-amine
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
Ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1-cyclopentane]-10-carboxylate
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
[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl phosphono hydrogen phosphate
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
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-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-propan-2-ylphenyl) 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
4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-[3-(methylthio)phenyl]butanamide
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
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
N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-glucosamine
The alpha-anomer of N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine.
N-(3-isoxazolyl)-2-[4-[[(5R)-3-oxo-5-phenyl-4-morpholinyl]methyl]-1-triazolyl]acetamide
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl phosphono hydrogen phosphate
ethyl 2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-2-yl]sulfanyl]acetate
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
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
3,7,11-Trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
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
(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)-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
methyl (2e,4e,6e,8e,10e,12e,14e)-15-(4-chloro-3-hydroxy-2-methylphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
(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"}