Exact Mass: 312.14086000000003
Exact Mass Matches: 312.14086000000003
Found 500 metabolites which its exact mass value is equals to given mass value 312.14086000000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzyl butyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10045 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10048 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10020; ORIGINAL_PRECURSOR_SCAN_NO 10018 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10069; ORIGINAL_PRECURSOR_SCAN_NO 10066 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9995; ORIGINAL_PRECURSOR_SCAN_NO 9990 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3597 CONFIDENCE standard compound; INTERNAL_ID 8369 D009676 - Noxae > D013723 - Teratogens
Olanzapine
C17H20N4S (312.14086000000003)
Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. It has also been established in treating depression off-label because of its mood-stabilizing properties and its ability to increase the efficacy of antidepressants. Olanzapine is manufactured and marketed by the pharmaceutical company Eli Lilly and Company. It is available as a pill that comes in the strengths of 2.5 mg, 5 mg, 7.5 mg, 10 mg, 15 mg, and 20 mg and as as Zydis orally disintegrating tablets in the strengths of 5 mg, 10 mg, 15 mg, and 20 mg. It is also available as a rapid-acting intramuscular injection for short term acute use. Olanzapine (oh-LAN-za-peen, sold as Zyprexa, Zydis, or in combination with fluoxetine, as Symbyax) was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; INTERNAL_ID 1517 D049990 - Membrane Transport Modulators Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].
Nivalenol
Nivalenol is a trichothecene produced by Fusaria, Stachybotrys, Trichoderma and other fungi, and some higher plants. They may contaminate food or feed grains, induce emesis and hemorrhage in lungs and brain, and damage bone marrow due to protein and DNA synthesis inhibition.(PubChem). It has been reported in the urine of patients suffering chronic idiopathic spastic paraparesis. These patients are usually found in hot and humid regions, most of which have heavy rains, and these conditions allow foods to be polluted by fungi some of which become toxigenic (PubMed ID 8855894 ). Nivalenol is a trichothecene produced by Fusaria, Stachybotrys, Trichoderma and other fungi, and some higher plants. They may contaminate food or feed grains, induce emesis and hemorrhage in lungs and brain, and damage bone marrow due to protein and DNA synthesis inhibition.(PubChem) D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2',3,4',5-Tetrahydroxy-4-prenylstilbene
2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits. 2,3,4,5-Tetrahydroxy-4-prenylstilbene is a constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry) Constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry). 2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits.
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
Penicillin F
C14H20N2O4S (312.11437200000006)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
AR-42
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Norclozapine
Norclozapine is the major metabolite of Clozapine. Clozapine is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also sometimes used off-label for the treatment of bipolar disorder. Clozapine is extensively metabolized in the liver, via the cytochrome P450 system, to polar metabolites suitable for elimination in the urine and feces. The major metabolite, norclozapine (desmethyl-clozapine), is pharmacologically active. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].
Phenylalanylphenylalanine
Phenylalanylphenylalanine (Phe-Phe) is a peptide made of two phenylalanine molecules. Phenylalanine is an essential amino acid and the precursor for the amino acid tyrosine. Like tyrosine, it is the precursor of catecholamines in the body (tyramine, dopamine, epinephrine and norepinephrine). The psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is a precursor of the neurotransmitters called catecholamines, which are adrenalin-like substances. Phenylalanine is highly concentrated in the human brain and plasma. The Phe-Phe recognition motif of the Alzheimer?s Abeta peptide is the smallest peptide able to assemble into higher ?order structures.(PMC:1796831) [HMDB] Phenylalanylphenylalanine (Phe-Phe) is a peptide made of two phenylalanine molecules. Phenylalanine is an essential amino acid and the precursor for the amino acid tyrosine. Like tyrosine, it is the precursor of catecholamines in the body (tyramine, dopamine, epinephrine and norepinephrine). The psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is a precursor of the neurotransmitters called catecholamines, which are adrenalin-like substances. Phenylalanine is highly concentrated in the human brain and plasma. The Phe-Phe recognition motif of Alzheimers amyloid-beta peptide is the smallest peptide able to assemble into higher-order structures (PMID: 17172307).
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
(E,E)-Arachidin I is found in nuts. (E,E)-Arachidin I is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E,E)-Arachidin I is found in nuts.
Chloropanaxydiol
C17H25ClO3 (312.14921300000003)
Chloropanaxydiol is found in tea. Chloropanaxydiol is isolated from the dried callus of Panax ginseng (ginseng
3-Hydroxychavicol 1-glucoside
3-Hydroxychavicol 1-glucoside is found in herbs and spices. 3-Hydroxychavicol 1-glucoside is a constituent of Mentha spicata var. crispa (spearmint) and rhizomes of Alpinia officinarum (lesser galangal) Constituent of Mentha spicata variety crispa (spearmint) and rhizomes of Alpinia officinarum (lesser galangal). 3-Hydroxychavicol 1-glucoside is found in herbs and spices.
(1E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
Gancaonin V
Gancaonin V is found in herbs and spices. Gancaonin V is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin V is found in herbs and spices.
Honyudisin
Honyudisin is found in citrus. Honyudisin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Honyudisin is found in citrus.
Methionyl-Tyrosine
C14H20N2O4S (312.11437200000006)
Methionyl-Tyrosine is a dipeptide composed of methionine and tyrosine. It 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tyrosyl-Methionine
C14H20N2O4S (312.11437200000006)
Tyrosyl-Methionine is a dipeptide composed of tyrosine and methionine. It 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Ethopropazine
Ethopropazine is only found in individuals that have used or taken this drug.Ethopropazine (also known as profenamine hydrochloride) is a medication derived from phenothiazine. It is primarily used as an antidyskinetic to treat parkinsonism. It is sold under the trade names Parsidol in the United States and Parsidan in Canada.Ethopropazines antiparkinson action can be attributed to its anticholinergic properties. Ethopropazine partially blocks central (striatal) cholinergic receptors, thereby helping to balance cholinergic and dopaminergic activity in the basal ganglia; salivation may be decreased, and smooth muscle may be relaxed. Drug-induced extrapyramidal symptoms and those due to parkinsonism may be relieved, but tardive dyskinesia is not alleviated and may be aggravated by anticholinergic effects. Ethopropazines local anesthetic effect is due to its antagonism of the NMDA glutamate receptor. Glutamate is recognized as an important transmitter in nociceptive pathways, and the N-methyl-D-aspartate (NMDA) subtype of the glutamate receptor, in particular, has been implicated in the mediation of neuropathic pain. Excessive release of glutamate at NMDA receptors on dorsal horn neurons of the spinal cord results in hyperactivation and hypersensitivity of these receptors (perceived as hyperalgesia), thought to be an integral feature of neuropathic pain. N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Dictyoquinazol A
Dictyoquinazol A is found in mushrooms. Dictyoquinazol A is an alkaloid from the edible mushroom Dictyophora indusiata. Alkaloid from the edible mushroom Dictyophora indusiata. Dictyoquinazol A is found in mushrooms.
Moringyne
Moringyne is found in fats and oils. Moringyne is a constituent of the seeds of Moringa oleifera (horseradish tree)
(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide
Chlorin
Penicillin F
C14H20N2O4S (312.11437200000006)
Piromelatine
C78272 - Agent Affecting Nervous System Piromelatine (Neu-P11) is a melatonin MT1/MT2 receptor agonist, serotonin 5-HT1A/5-HT1D agonist, and serotonin 5-HT2B antagonist. Piromelatine (Neu-P11) possesses sleep promoting, analgesic, anti-neurodegenerative, anxiolytic and antidepressant potentials. Piromelatine (Neu-P11) also possesses pain-related P2X3, TRPV1, and Nav1.7 channel-inhibition capacities[1][2][3].
Propamidine
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives
(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid
C14H20N2O4S (312.11437200000006)
4-(1-(2-Fluoro-4-biphenyl)ethyl)-2-methylaminothiazole
C18H17FN2S (312.10964140000004)
21,22,23,24-Tetrahydroporphyrin
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Nordentatin
Nordentatin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Nordentatin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nordentatin can be found in sweet orange, which makes nordentatin a potential biomarker for the consumption of this food product.
Eriosematin
Eriosematin is a natural product found in Eriosema tuberosum with data available.
Isohyenanchin
Desmosdumotin C
2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
5-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Ethanediamide, N-(2-ethoxyphenyl)-N-(2-ethylphenyl)-
olanzapine
C17H20N4S (312.14086000000003)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1517 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3697 Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].
N-Desmethylclozapine
A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
7,12-dihydroxy-1,5(10),6,8,12-abietapentaene-11,14-dione|sanigerone
3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-4-quinazoline
2-Phenyl-4--6-hydroxymethyl-2,3-dihydro-1,4-benzoxazin-3-on|6-hydroxymethyl-4-(2-methylamino-ethyl)-2-phenyl-4H-benzo[1,4]oxazin-3-one
methyl 2-[4-(alpha-L-rhamnopyranosyl)phenyl]acetate
1beta,2beta-epoxy-3beta,4alpha,8beta,10alpha-tetrahydroxyguaia-11(13)-en-12,6alpha-olide
2,6-dimethyl-8-[(2-oxo-2h-1-benzopyran-7-yl)oxy]-2,6-octadienal
<5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl>angelat|Angeloyl-4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)-furan|[5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl]angelat
(2R)-1-O-(2-phenylpropanoyl)-beta-D-glucopyranuronic acid|(2R)-phenylpropionyl beta-D-glucopyranoside|(R)-1PG|1-([(2R)-phenyl]propanoyl)-beta-D-glucopyranose
2-(4-hydroxy-phenyl)-6-methyl-4-(2-methylamino-ethyl)-4H-benzo[1,4]oxazin-3-one|2-<4(?)-Hydroxyphenyl>-4--6-methyl-2,3-dihydro-1,4-benzoxazin-3-on
2-carboxyl-4-(3-methyl-but-2-enyl)-5-methoxy-(1,1-biphenyl)-3-ol
O1-((S)-1-phenyl-propyl)-beta-D-glucopyranuronic acid|O1-((S)-1-Phenyl-propyl)-beta-D-glucopyranuronsaeure
6-(4-hydroxy-6-oxo-8-phenyloct-1,7-dienyl)-5,6-dihydro-2H-pyran-2-one
2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione|champanone A
1??,2??-Epoxy-3??,4??,9??,10??-tetrahydroxyguaia-11(13)-en-12,6??-olide
(Z)-Diversin|5-Oxo-Delta3-aurapten|7-(3,7-dimethyl-5-oxoocta-3E,6-dienyloxy)coumarin
rel-(2Z,4E)-5-((1R,3R,4R,5S,8S)-1,5-dimethyl-3,4,8-trihydroxy-7-oxa-6-oxobicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid
(4E)-1-(4-dihydroxy-phenyl)-7-(3,4-hydroxyphenyl)-heptene-3-one|(4E)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptene-3-one|1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-4(E)-hepten-3-one|alusenone|alusenone 1a
4-butoxy-2,3-dihydroxy-2-(4-hydroxybenzyl)-4-oxobutanoic acid
3-methoxy-4-hydroxy-5,7-epoxy-8,4-oxyneolign-7E-ene
(2R, 3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-hydroxy-3-methyl-5-(E)-propenylbenzofuran|callislignan A
2-methyl-5-(1-methylethyl)phenyl beta-D-glucopyranoside|2-methyl-5-(1-methylethyl)phenyl-beta-D-glucopyranoside|carvacryl beta-D-glucopyranoside
(E)-3-(3-methyl-2-butenyloxy)-3,4,5-trihydroxystilbene
(E)-2-(3-methyl-2-buten-1-yl)-3,3,4,5-tetrahydroxystilbene
5-(3-methoxy-1-propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol|9-methoxyobovatol
(1R,3R,5S,6E)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyhept-6-ene
methyl 1-(methyl propionate)-beta-carboline-3-carboxylate
4,12-dihydroxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-10-one|9-oxoacerogenin A
2-(3-hydroxy-4,5-dimethoxy-phenyl)ethyl 5-hydroxy-4-oxo-pentanoate
2,3,4-trimethylbenzyl alcohol-O-beta-D-glucopyranoside|2,3,4-trimethylbenzylalcohol-O-beta-D-glucopyranoside
10-Chloro-1-heptadecene-4,6-diyne-3,8,9-triol
C17H25ClO3 (312.14921300000003)
13,15-Diacetoxy-pentadeca-8,10-dien-2,4,6-triin|13,15-diacetoxy-pentadeca-8,10-diene-2,4,6-triyne|Centaur X(1)
6-hydroxy-7-[(E,E)-3,7-dimethyl-2,4,7-octatrienyloxy]coumarin
3alpha-Acetoxy-7-hydroxy-5beta-isobutyryloxy-carvotanacetone
4,6-decadiyne-1-O-beta-D-glucopyranoside|carthamoside A2
butyl 2-[(benzoyloxy)methyl]benzoate|n-butyl 2-benzoyloxymethylbenzoate|spatozoate
1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
1-(2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl)-2-methyl-1-propanone|1-{2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methyl-1-propanone
Macaline A
See also: Lepidium meyenii root (part of). Lepidiline A shows cytotoxic activity against HL-60 cells with an IC50 of 32.3 μM.
2, 4-Dihydroxy-allylbenzene-2-O-β-D-glucopyranoside
Norclozapine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants CONFIDENCE standard compound; INTERNAL_ID 1563 INTERNAL_ID 1563; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3607 N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
(3E,5S,8R,11E,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
C15H20O7_beta-D-Glucopyranoside, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl
C16H24O6_beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
C15H20O7_2-Acetyl-3-methylphenyl beta-D-glucopyranoside
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
Triptophenolide
Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo: Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo:
CID 440908
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]
NEOPENTYL GLYCOL DIBENZOATE
CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10022; ORIGINAL_PRECURSOR_SCAN_NO 10019 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10040; ORIGINAL_PRECURSOR_SCAN_NO 10037 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10068; ORIGINAL_PRECURSOR_SCAN_NO 10063 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10086 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10118 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10091; ORIGINAL_PRECURSOR_SCAN_NO 10086
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol_major
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_major
1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone_major
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_73.9\\%
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_47.6\\%
2-hydroxyethinylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6b,17a)-
Met-tyr
C14H20N2O4S (312.11437200000006)
A dipeptide formed from L-methionine and L-tyrosine residues.
Tyr-met
C14H20N2O4S (312.11437200000006)
A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-methionine.
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
Apo-10'-bixinal
Chloropanaxydiol
C17H25ClO3 (312.14921300000003)
7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one
honyudisin
3-Hydroxychavicol 1-glucoside
4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone
tert-Butyl 4-(phenylamino)piperidine-1-carboxylate hydrochloride
(3BETA,5BETA,16BETA)-3-[(6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY]-14,16-DIHYDROXYCARD-20(22)-ENOLIDE
C14H20N2O4S (312.11437200000006)
1,2-Ethanediamine,N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)
2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
6-TERT-BUTYL 3-METHYL 2-AMINO-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE
C14H20N2O4S (312.11437200000006)
tert-butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
TERT-BUTYL (1-(6-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-4-YL)CARBAMATE
Benzyl 2-butylpiperazine-1-carboxylate hydrochloride
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxyaniline
C17H21BN2O3 (312.1645146000001)
TERT-BUTYL 4-(6-CHLORO-2-METHYL-4-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIMETHYLSILYL)FURO[3,2-B]PYRIDINE
C14H16BF3N2O2 (312.12568619999996)
(R)-N,Nμ-Dimethyl-2,2μ-diamino-1,1μ-binaphthyl,(R)-N,Nμ-Dimethyl-1,1μ-binaphthalene-2,2μ-diamine
(S)-2-(tert-Butyldiphenylsilanyloxy)propionaldehyde
C19H24O2Si (312.15454839999995)
5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
C14H20N2O4S (312.11437200000006)
(4-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
5,5-BIS-(4-METHOXY-PHENYL)-IMIDAZOLIDINE-2,4-DIONE
2-[ETHYL[4-[2-(4-NITROPHENYL)ETHENYL]PHENYL]AMINO]ETHANOL
N-(3,4-dichlorophenyl)-3-azaspiro[5.5]undecan-9-amine
3-(3,4-dichlorophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
tert-butyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
benzyl (1-(methylsulfonyl)piperidin-4-yl)carbamate
C14H20N2O4S (312.11437200000006)
Ethyl7-benzyl-4-hydroxy-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazol[5,1-f][1,2,4]-triazin-4-one
[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate diacrylate
tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
2-(BENZYLOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINE
C17H21BN2O3 (312.1645146000001)
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoate
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
C14H20N2O4S (312.11437200000006)
(3S,6S,8AS)-METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE
2-Methyl-2-propanyl 7-(2-methoxy-2-oxoethyl)-6-oxo-1,7-diazaspiro [4.4]nonane-1-carboxylate
methyl 2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester
C16H16N4O3 (312.12223459999996)
Tofacitinib
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Janus Kinase Inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(3-BOC-AMINO-AZETIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID
C14H20N2O4S (312.11437200000006)
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid
C14H20N2O4S (312.11437200000006)
(8R,9S,10R,13S,14S)-10,13-Dimethylspiro[7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-6,2-oxirane]-3,17(10H,14H)-dione
benzyl (2R)-2-butylpiperazine-1-carboxylate,hydrochloride
Molindone hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Molindone hydrochloride (EN-1733A) is a therapeutic antipsychotic, used in the treatment of schizophrenia, works by blocking the effects of dopamine in the brain, leading to diminished psychoses.
2,3-Dihydro-2-spiro-7-[8-imino-7,8-dihydronaphthalen-1-amine]perimidine
2,2-[Methylenebis(2,1-phenyleneoxymethylene)]dioxirane
Trenbolone Acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
2-[p-(Dimethylamino)benzoyl]-5-(dimethylamino)benzoic acid
2-[1-(tert-butoxycarbonyl)-4-piperidinyl]-1,3-thiazole-4-carboxylic acid
C14H20N2O4S (312.11437200000006)
Methyl 4-(benzyloxy)-3-(cyclopropylMethoxy)benzoate
4-(2,3-Difluoro-5-Methyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
trans-4-(Benzyloxycarbonylamino)cyclohexanemethylamine hydrochloride
Amides,coco, N-[3-(dimethylamino)propyl]
4-Chloro-4-(trans-4-propylcyclohexyl)-1,1-biphenyl
N-(4-Amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, HCl
(3-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
2-ethylhexyl (4-chloro-2-methylphenoxy)acetate
C17H25ClO3 (312.14921300000003)
(R)-Benzyl 2-isobutylpiperazine-1-carboxylate hydrochloride
(S)-Benzyl 2-isobutylpiperazine-1-carboxylate hydrochloride
methyl (3s,6s,8ar)-6-[(tert-butoxycarbonyl)amino]-5-oxooctahydroindolizine-3-carboxylate
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tri-2-propen-1-yl ester
4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
benzyl (2S)-2-butylpiperazine-1-carboxylate,hydrochloride
2-(4-(1,1-Dimethylethyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione
5-Deoxy-5-(dimethyl-lambda~4~-sulfanyl)adenosine
C12H18N5O3S+ (312.11302980000005)
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(5-isopropyl-2-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide
2-Propenamide, N-(4-ethoxyphenyl)-3-(3-nitrophenyl)-
1-(2-Methoxyethyl)-2-[(4-methoxyphenoxy)methyl]benzimidazole
2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-methylphenyl)acetamide
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide
1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1-heptene-3-one
Benzoic acid, 3-methoxy-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester
6,7,8,13,14,15-Hexahydro-7,14-methanobenzo[6,7]cyclodeca[1,2-b]naphthalen-17-one
(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one
Profenamine
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
propamidine
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives
Yakuchinone A
Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].
Thebaine(1+)
The trialkylammonium ion resulting from the protonation of the amino group of thebaine.
[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[2-hydroxy-2-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]ethyl]oxan-3-yl]azanium
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propylidene]amino]-3-(4-hydroxyphenyl)propanal
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dimethylpurin-9-ium-6-one
(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid
C14H20N2O4S (312.11437200000006)
beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
(3-Hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione
6-Amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C16H16N4O3 (312.12223459999996)
6-methyl-6-pyridin-4-yl-12H-benzimidazolo[1,2-c]quinazoline
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
6-butyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
C16H16N4O3 (312.12223459999996)
1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
C14H20N2O4S (312.11437200000006)
N-(2-furanylmethyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
4-[2-(3-Fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide
N-(3-methoxyphenyl)-4-[(2-methyl-1-oxopropyl)amino]benzamide
(E)-3-(((quinolin-8-ylmethylene)amino)oxy)butyl cyclopropanecarboxylate
(2S,3E)-4-[(4aR,5aS,9R,10aR,11S,11aS)-11-hydroxy-2,3,4,4a,5a,6,9,10a,11,11a-decahydropyrano[2,3:5,6]pyrano[3,2-b]oxepin-9-yl]but-3-ene-1,2-diol
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2-(methylamino)-1H-purin-9-ium-6-one
1-{4-[(2-Hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium chloride
3,4,5-Trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid
methyl 2-methyl-4-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
2-[hydroxy-[(2R)-3-hydroxy-2-prop-2-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
C11H23NO7P+ (312.12120780000004)
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
(2-Hydroxy-3-phosphonooxypropyl) nonanoate
C12H25O7P (312.13378300000005)
3-[(2-Oxo)-2-morpholinoethylamino]-4-methyl-6-phenylpyridazine
Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate
Yakuchinone A
1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is a ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. It has a role as a metabolite, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an antineoplastic agent. It is a monomethoxybenzene, a member of phenols and a ketone. Yakuchinone-A is a natural product found in Alpinia oxyphylla with data available. A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].
Butylbenzyl phthalate
D009676 - Noxae > D013723 - Teratogens
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone
1-chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
C17H25ClO3 (312.14921300000003)
4-(3-Methyl-1-butenyl)-3,3,4,5-tetrahydroxystilbene
(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}-3-phenylpropanoate
5,13-Dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Phe-Phe zwitterion
An L-aminoacyl-L-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-phenylalanyl-L-phenylalanine; major species at pH 7.3.
HCV-IN-31
C12H17FN6O3 (312.13461040000004)
HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC50/EC95 of 15.7 μM for HCV replicon[1].
RSVA405
RSVA405 is a potent, orally active activator of AMPK, with an EC50 of 1 μM. RSVA405 facilitates CaMKKβ-dependent activation of AMPK, inhibits mTOR, and promotes autophagy to increase Aβ degradation. RSVA405 has anti-inflammatory effects through the inhibition of STAT3 function. RSVA405 can also be used for the research of obesity[1][2][3][4].
1-{2-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one
n-hexyl-2-hydroxy-n-[3-(2-oxo-5h-furan-3-yl)propanoyl]ethanehydrazonic acid
3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(2e)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione
3-methyl-5-{2,3,8-trihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl}penta-2,4-dienoic acid
(1r,2e,8s,10r,11s)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one
(3s,5r,7s,8r)-7,8-dihydroxy-5-(2-hydroxypropan-2-yl)-11,11-dimethyl-4,10-dioxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-13-one
2-(3-hydroxy-5-methoxy-2,4,6-trimethylphenyl)-5-methyl-1-benzofuran-4-ol
(6s,10s,12s)-18-hydroxy-12-methyl-2,7,11,13-tetraazapentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid
C16H16N4O3 (312.12223459999996)
(1r,4s,13r,16s)-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione
7-[(3,7-dimethylocta-2,4,7-trien-1-yl)oxy]-6-hydroxychromen-2-one
(1r,13r,16s,18r)-3-hydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one
2,3,4,5,6-pentahydroxycyclohexyl 2-phenylpropanoate
7-{[(3e)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]oxy}chromen-2-one
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
3,11,17-trihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
(3z,5s,11e,13r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
(1r,3s)-6-hydroxy-1-(3h-imidazol-4-ylmethyl)-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid
C16H16N4O3 (312.12223459999996)