Exact Mass: 281.1562
Exact Mass Matches: 281.1562
Found 478 metabolites which its exact mass value is equals to given mass value 281.1562,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cycloheximide
Cycloheximide appears as colorless crystals. Used as a fungicide and as a anticancer drug. (EPA, 1998) Cycloheximide is a dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. It has a role as a bacterial metabolite, a protein synthesis inhibitor, a neuroprotective agent, an anticoronaviral agent and a ferroptosis inhibitor. It is a member of piperidones, a piperidine antibiotic, an antibiotic fungicide, a dicarboximide, a secondary alcohol and a cyclic ketone. It is functionally related to a piperidine-2,6-dione. Cycloheximide is a natural product found in Streptomyces, Streptomyces griseus, and Streptomyces pulveraceus with data available. Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis. A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Origin: Microbe; SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.773 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.776 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.777 [Raw Data] CBA53_Cycloheximid_pos_50eV.txt [Raw Data] CBA53_Cycloheximid_pos_20eV.txt [Raw Data] CBA53_Cycloheximid_pos_10eV.txt [Raw Data] CBA53_Cycloheximid_pos_40eV.txt [Raw Data] CBA53_Cycloheximid_pos_30eV.txt
Pendimethalin
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3116 CONFIDENCE standard compound; INTERNAL_ID 2549 CONFIDENCE standard compound; INTERNAL_ID 4059 CONFIDENCE standard compound; INTERNAL_ID 8435 D010575 - Pesticides > D006540 - Herbicides KEIO_ID P183; [MS2] KO009157 KEIO_ID P183; [MS3] KO009158 D016573 - Agrochemicals KEIO_ID P183
1-Methyladenosine
1-Methyladenosine, also known as M1A, belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Precise m6A mapping by m6A-CLIP/IP (briefly m6A-CLIP) revealed that a majority of m6A locates in the last exon of mRNAs in multiple tissues/cultured cells of mouse and human, and the m6A enrichment around stop codons is a coincidence that many stop codons locate round the start of last exons where m6A is truly enriched. The methylation of adenosine is directed by a large m6A methyltransferase complex containing METTL3 as the SAM-binding sub-unit. Insulin-like growth factor-2 mRNA-binding proteins 1, 2, and 3 (IGF2BP1-3) are reported as a novel class of m6A readers. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
NSC100044
O6-Methyldeoxy guanosine; DNA adduct is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Xanomeline tartrate
Same as: D06330 Xanomeline, as an effective and selective muscarinic type 1 and type 4 (M1/M4) receptor agonist, increases neuronal excitability. Xanomeline can be used for the research of neurological disorders, such as schizophrenia[1][2].
Diminazene
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
colestipol
It is used as a food additive . C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AC - Bile acid sequestrants D019995 - Laboratory Chemicals > D007475 - Ion Exchange Resins > D000837 - Anion Exchange Resins D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites D001697 - Biomedical and Dental Materials D064449 - Sequestering Agents
XANOMELINE
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs Same as: D06330 Xanomeline, as an effective and selective muscarinic type 1 and type 4 (M1/M4) receptor agonist, increases neuronal excitability. Xanomeline can be used for the research of neurological disorders, such as schizophrenia[1][2].
phentolamine
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AB - Imidazoline derivatives V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Phentolamine is a potent, selective and orally active α1 adrenergic and α2 adrenergic receptor antagonist. Phentolamine can be used for the research of erectile dysfunction[1][2][3].
Floribundine
Floribundine is an isoquinoline alkaloid. Floribundine is a natural product found in Annona purpurea, Tephroseris palustris, and other organisms with data available. Alkaloid from Nelumbo nucifera (East India lotus). Floribundine is found in tea, cherimoya, and coffee and coffee products. Floribundine is found in cherimoya. Floribundine is an alkaloid from Nelumbo nucifera (East India lotus
2'-O-Methyladenosine
2-O-Methyladenosine is a methylated adenine residue. 2-O-Methyladenosine is a naturally occurring 2-O-methylpurine nucleoside with long lasting hypotensive properties; resistance of 2-O-methyladenosine against adenosine deaminase is thought to contribute to prolonged activity. 2-O-Methyladenosine occurs in human fluids, and they increase in urines of untreated adenosine deaminase (ADA) deficient patients (OMIM 608958). (PMID: 9539952, 6980397) [HMDB] 2-O-Methyladenosine is a methylated adenine residue. 2-O-Methyladenosine is a naturally occurring 2-O-methylpurine nucleoside with long lasting hypotensive properties; resistance of 2-O-methyladenosine against adenosine deaminase is thought to contribute to prolonged activity. 2-O-Methyladenosine occurs in human fluids, and they increase in urines of untreated adenosine deaminase (ADA) deficient patients (OMIM 608958). (PMID: 9539952, 6980397). 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2]. 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2].
Phentolamine
Phentolamine is only found in individuals that have used or taken this drug. It is a nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of raynaud disease and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease (PubChem). Phentolamine produces its therapeutic actions by competitively blocking alpha-adrenergic receptors (primarily excitatory responses of smooth muscle and exocrine glands), leading to a muscle relaxation and a widening of the blood vessels. This widening of the blood vessels results in a lowering of blood pressure. The action of phentolamine on the alpha adrenergic receptors is relatively transient and the blocking effect is incomplete. The drug is more effective in antagonizing responses to circulating epinephrine and/or norepinephrine than in antagonizing responses to mediator released at the adrenergic nerve ending. Phentolamine also stimulates β-adrenergic receptors and produces a positive inotropic and chronotropic effect on the heart and increases cardiac output. C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AB - Imidazoline derivatives V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Phentolamine is a potent, selective and orally active α1 adrenergic and α2 adrenergic receptor antagonist. Phentolamine can be used for the research of erectile dysfunction[1][2][3].
8-hydroxymirtazapine
8-hydroxymirtazapine is a metabolite of mirtazapine. Mirtazapine (Remeron, Avanza, Zispin) is a noradrenergic and specific serotonergic antidepressant (NaSSA) which was introduced by Organon International in the United States in 1990 and is used primarily in the treatment of depression. It is also commonly used as an anxiolytic, hypnotic, antiemetic, and appetite stimulant. Structurally, mirtazapine can also be classified as a tetracyclic antidepressant (TeCA). (Wikipedia)
N6-Methyladenosine
N6-Methyladenosine is a methylated adenine residue. N6-Methyladenosine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820) [HMDB] N6-Methyladenosine is a methylated adenine residue. N6-Methyladenosine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820). N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities. N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities.
3'-O-Methyladenosine
3-O-Methyladenosine is a methylated adenine residue. [HMDB] 3-O-Methyladenosine is a methylated adenine residue. (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol (Adenosine, 3'-O-methyl- (8CI)(9CI)) is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
Diphenylpyraline
Diphenylpyraline is an antihistamine. Antihistamines used in the treatment of allergy act by competing with histamine for H 1-receptor sites on effector cells. Antihistamines prevent, but do not reverse, responses mediated by histamine alone. Antihistamines antagonize, in varying degrees, most of the pharmacological effects of histamine, including urticaria and pruritus. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Diphenylpyraline is a potent histamine H1?receptor antagonist. Diphenylpyraline acts as an orally active antihistamine agent?with antimuscarinic and antiallergic effects. Diphenylpyraline can be used for the research of allergic diseases, including rhinitis and hay fever, and pruritic skin disorders et.al[1].
N-(1-Deoxy-1-fructosyl)threonine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)threonine is classified as a Natural Food Constituent (code WA) in the DFC.
(E)-2-Hydroxy-N-desmethyldoxepin
(E)-2-Hydroxy-N-desmethyldoxepin is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, the original preparation by Boehringer-Mannheim, now part of the Roche group; Adapine, Doxal, Deptran, Sinquan and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch. (Wikipedia)
mirtazapine-N-oxide
mirtazapine-N-oxide is a metabolite of mirtazapine. Mirtazapine (Remeron, Avanza, Zispin) is a noradrenergic and specific serotonergic antidepressant (NaSSA) which was introduced by Organon International in the United States in 1990 and is used primarily in the treatment of depression. It is also commonly used as an anxiolytic, hypnotic, antiemetic, and appetite stimulant. Structurally, mirtazapine can also be classified as a tetracyclic antidepressant (TeCA). (Wikipedia)
1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one
1-Methyladenosin
1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
(S)-3-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine
4-(4-Fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2-amine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Caffeine, 8-((3-methoxypropyl)amino)-
Apocodeine
3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid
Isoapocodeine
N-Nornuciferine
L-3-(3-Hydroxy-4-pivaloyloxyphenyl)alanine
Northiaden
Pridopidine
C78272 - Agent Affecting Nervous System Pridopidine, a dopamine (DA) stabilizer, acts as a low affinity dopamine D2 receptor (D2R) antagonist. Pridopidine exerts high affinity towards sigma 1 receptor (S1R) with Ki between 70 and 80 nM, which is ~100× higher than its affinity toward D2R.
N-(2-(Mercaptomethyl)-3-phenylbutanoyl)-L-alanine
Sanfetrinem
4-Methyl-3-[4-(4-oxopyridin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
dihydroxyphaseic acid
Dihydroxyphaseic acid is also known as dihydroxyphaseate. Dihydroxyphaseic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Dihydroxyphaseic acid can be found in a number of food items such as olive, turmeric, macadamia nut, and shiitake, which makes dihydroxyphaseic acid a potential biomarker for the consumption of these food products.
1-Methyladenosine
1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
3-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
N-[(2,2-dimethylpropanoyl)oxy]-6-(ethylthio)pyridine-3-carboximidamide
Coumarin 106
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.416 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.417
5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid
(E,E,E)-2,4,12-Tetradecatriene-8,10-diynoic acid piperidide
7-Alcohol-Spirostaphylotrichin F|spirostaphylotrichin L
Me glycoside,4,6-O-benzylidene-alpha-D-Pyranose-3-Amino-3-deoxyglucose
(2E,4E,6E,12Z)-3-Methylpropylamide-2,4,6,12-Tetradecatetraene-8,10-diynoic acid
2-Dimethylamino-4-oxo-6-(L-threo-1,2,3-trihydroxypropyl)-3,4-dihydropteridin|Euglenapterin
scalusamide A
A pyrrolidine alkaloid that is a monocarboxylic acid amide obtained by the formal condensation of (8E)-2-methyl-3-oxodec-8-enoic acid with (2R)-pyrrolidin-2-ylmethanol. Isolated from the the cultured broth of the fungus Penicillium citrinum, it exhibits anti-fungal and antibacterial activity.
(S)-benzhydryl 3,3-dimethylaziridine-2-carboxylate|benzhydryl (S)-3,3-dimethylaziridine-2-carboxylate
5,6,6a,7-Tetrahydro-6-methyl-10-methoxy-4H-dibenzo[de,g]quinolin-9-ol
N-(1-deoxy-D-fructos-1-yl)-L-threonine|N-(1-Desoxy-D-fructos-1-yl)-L-threonin|N-D-Fructose-1-yl-LS-threonin|N-D-fructose-1-yl-LS-threonine
Sanjoinine Ia
N-Nornuciferine is a natural product found in Meiogyne monosperma, Neolitsea konishii, and other organisms with data available. N-Nornuciferine is an aporphine alkaloid in lotus leaf that significantly inhibits CYP2D6 with IC50 and Ki of 3.76 and 2.34 μM, respectively. N-Nornuciferine is an aporphine alkaloid in lotus leaf that significantly inhibits CYP2D6 with IC50 and Ki of 3.76 and 2.34 μM, respectively.
Lirinidine
Lirinidine is a natural product found in Annona purpurea, Ocotea macrophylla, and other organisms with data available. Lirinidine ((+)-Lirinidine) is an alkaloid isolated from the leaves of?L. tulipifera and has antioxidant and anticancer?activities. Lirinidine exhibits medium ferric reducing power activity and minor radical scavenging activity in vitro. Lirinidine can be used for cosmetic research[1]. Lirinidine ((+)-Lirinidine) is an alkaloid isolated from the leaves of?L. tulipifera and has antioxidant and anticancer?activities. Lirinidine exhibits medium ferric reducing power activity and minor radical scavenging activity in vitro. Lirinidine can be used for cosmetic research[1].
Methylasimilobine
O-Nornuciferine is a natural product found in Annona purpurea, Stephania cephalantha, and other organisms with data available.
8-Hydroxymirtazapine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3712 CONFIDENCE standard compound; INTERNAL_ID 1555
10b-Methyl-3,4,5,6,10b,11-hexahydro-2H-4b-aza-chrysene-1,12-dione
MLS001049073-01!4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
1-Methyladenosine
A methyladenosine carrying a methyl substituent at position 1. CONFIDENCE standard compound; INTERNAL_ID 313 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide
4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione
(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid
2-O-methyladenosine
CONFIDENCE standard compound; INTERNAL_ID 312 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2]. 2'-O-Methyladenosine, a methylated adenine residue is found in urine of normals as well as in urine of adenosine deaminase (ADA) deficient patients. 2'-O-Methyladenosine exhibits unique hypotensive activities [1][2].
6-Methyladenosine
N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities. N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities.
N6-Methyladenosine
CONFIDENCE standard compound; INTERNAL_ID 307 N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities. N6-Methyladenosine is the most prevalent internal (non-cap) modification present in the messenger RNA (mRNA) of all higher eukaryotes. N6-Methyladenosine can modifies viral RNAs and has antiviral activities.
L-METHYLADENOSINE
1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents. 1-Methyladenosine is an RNA modification originating essentially from two different reaction types, one catalyzed by enzymes and the other the result of the reaction of RNA with certain alkylating agents.
Dainic Acid A
An L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a (2E)-6-methylhepta-2,5-dien-2-yl group at position 4. It is produced by the red algal Chondria armata.
(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based on: CCMSLIB00000846613]
5-amino-3-[(2E)-2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-5-oxopentanoic acid [IIN-based: Match]
2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide [IIN-based on: CCMSLIB00000845929]
(E)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione [IIN-based: Match]
2-[2-(3,5-dimethyl-2-oxocyclohexyl)-6-oxooxan-4-yl]acetamide [IIN-based: Match]
4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione [IIN-based: Match]
Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- (9CI) ASL 8123
3-O-Methyladenosine
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol (Adenosine, 3'-O-methyl- (8CI)(9CI)) is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
diphenylpyraline
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Diphenylpyraline is a potent histamine H1?receptor antagonist. Diphenylpyraline acts as an orally active antihistamine agent?with antimuscarinic and antiallergic effects. Diphenylpyraline can be used for the research of allergic diseases, including rhinitis and hay fever, and pruritic skin disorders et.al[1].
Floribundine
1,4,5,7-Tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid 6-tert-butyl 3-methyl ester
N-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
Acrylonitrile, butyl acrylate, methyl methacrylate polymer
8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-, benzoate (ester), hydrochloride, (3-exo)- (9CI)
TERT-BUTYL 4-(METHOXYCARBONYL)-3-METHOXYPHENYLCARBAMATE
methyl 2-(2-benzyl-1,3-dihydroisoindol-1-yl)acetate
4-[(1-methylbenzimidazol-2-yl)methylamino]benzoic acid
2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
4-tert-Butylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
1-(1-tert-Butoxycarbonyl-pyrrolidin-3-yl)-1H-imidazole-4-carboxylic acid
3-methoxy-3,3-diphenyl-N-prop-2-enylpropan-1-amine
Boc-(R)-3-amino-3-(4-hydroxy-phenyl)- propionic acid
(4-HYDROXY-[1,1-BIPHENYL]-4-YL)(PIPERIDIN-1-YL)METHANONE
tert-butyl N-[2-amino-2-(2-nitrophenyl)ethyl]carbamate
2,2,3,4,5,5-HEXAMETHYL-3-IMIDAZOLINIUM-1-YLOXY METHYL SULFATE
acetic acid; 2-[(2-aminoacetyl)amino]-3-phenyl-propanamide
(2S,4S)-1-BENZYL-2-METHY-4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxylic acid
4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride
(S)-Ethyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
TERT-BUTYL (4-IODO-5-METHOXYPYRIDIN-3-YL)-METHYLCARBAMATE
Boc-(S)-3-Amino-3-(2-hydroxy-phenyl)-propionic acid
tert-butyl (3R)-3-(4-fluorophenoxy)pyrrolidine-1-carboxylate
2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
1-[(Benzyloxy)carbonyl]-3-fluoro-3-piperidinecarboxylic acid
3-benzyl-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
2-(4-DIMETHYLAMINO-PHENYL)-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID
tert-butyl 4-(1,2,4-triazol-1-ylmethyl)-1,4-diazepane-1-carboxylate
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
(3-CHLORO-PYRIDIN-2-YL)-METHYL AMINE DIHYDROCHLORIDE
(4-tert-butylphenyl)-piperidin-4-ylmethanone,hydrochloride
4-(2-((TERT-BUTOXYCARBONYL)AMINO)ETHOXY)BENZOIC ACID
Roxadimate
C1892 - Chemopreventive Agent > C851 - Sunscreen
Methyl 4-{4-[Bis(2-Hydroxyethyl)Amino]Phenyl}Butanoate
1H-Pyrrole-2-propanoicacid, 4-(ethoxycarbonyl)-3,5-dimethyl-b-oxo-, ethyl ester
tert-butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
tert-Butyl 4-(2,2,2-trifluoro-acetyl)piperidin-1-carboxylate
DIETHYL 2-[[(1,3-DIMETHYL-1H-PYRAZOL-5-YL)AMINO]METHYLIDENE]MALONATE
DIETHYL 4-ETHYL-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE
6,7-dimethylspiro[3H-chromene-2,4-piperidine]-4-one,hydrochloride
ethyl 4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoate
butyl prop-2-enoate,ethyl prop-2-enoate,prop-2-enenitrile
cinnamedrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
(2S,4R)-1-BENZYL-2-METHYL-4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE
(1,2-DIMETHYL-1 H-BENZOIMIDAZOL-5-YL)-(4-METHOXY-BENZYL)-AMINE
tert-butyl N-[2-amino-2-(4-nitrophenyl)ethyl]carbamate
Tolperisone hydrochloride
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents
2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl-3-carboxylic acid n-hydroxysuccinimide ester
TERT-BUTOXYCARBONYLAMINO-(2-METHOXY-PHENYL)-ACETIC ACID
5-Tert-Butyl3-Ethyl4,6-Dihydropyrrolo[3,4-C]Pyrazole-3,5(1H)-Dicarboxylate
5-Formyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-(1,1-dimethylethyl) 4-ethyl ester
2-((tert-butoxycarbonyl)amino)-2-(4-methoxyphenyl)acetic acid
3-(4-FLUOROPHENYL)-1-ISOPROPYL-1H-INDOLE-2-CARBALDEHYDE
1-(4-METHYLPHENYL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
3-Methyl-N-[[[(1R,2R)-2-(4-pentyn-1-yl) cyclopropyl]oxy]carbonyl]-L-Valine
(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride
TERT-BUTYL 5-(2-CHLOROETHYL)INDOLINE-1-CARBOXYLATE
2-(1-methyl-1H-pyrazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
6-(4-aminophenyl)-4-ethoxypyrido[3,2-d]pyrimidin-2-amine
N-cyclopentyl-5-(4-ethylphenyl)-2-methylpyrimidin-4-amine
(R)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-HYDROXYPHENYL)PROPANOIC ACID
2-C-Methyladenosine
2'-C-Methyladenosine is an inhibitor of hepatitis C virus (HCV) replication. 2'-C-Methyladenosine inhibits HCV replicon and NS5B-catalyzed RNA synthesis with IC50 values of 0.3μM and 1.9 μM, respectively. 2'-C-Methyladenosine also potently inhibits LRV1 in Leishmania guyanensis (Lgy) and Leishmania braziliensis[1][2].
(4-FLUOROPHENYLAMINO)METHYLENEMALONIC ACID DIETHYL ESTER
Benzenamine,N-[(4-butoxyphenyl)methylene]-4-ethyl-
3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
boc-(s)-3-amino-3-(3-hydroxy-phenyl)-propionic acid
2-Chloro-1-(6-methoxy-2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
3-[(2R)-1-acetyl-2-pyrrolidinyl]--aMino-5-isoxazolepropanoic acid Methyl ester
2-Benzyl-2,3-dihydro-1H-isoindole-1-carboxylic acid ethyl ester
4-((2,2-dimethyl-1,3-dioxan-5-yl)methoxy)-2,3,5-trimethylpyridine1-oxide
ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Methyl 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
TRANS-1-BENZYL-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID
3-amino-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decan-2-ol
[2-[(tert-butoxycarbonyl)amino]-3-methoxyphenyl]acetic acid
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
cladribine related compound a (20 mg) (2-methoxy-2-deoxyadenosine)
5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
3-Borono-5-((tert-butoxycarbonyl)amino)benzoic acid
Blarcamesine
C26170 - Protective Agent > C1509 - Neuroprotective Agent Blarcamesine is an orally bioavailable Sigma-1 receptor agonist and muscarinic receptor modulator, with anticonvulsant, anti-amnesic, neuroprotective and antidepressant properties. Blarcamesine ameliorates neurologic impairments in a mouse model of Rett syndrome[1].
Talsaclidine fumarate
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist
7-Phenyl-7-(3-pyridyl)-6-heptenoic acid
D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
5-(2-Amino-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
4-[(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide
3-Acetyl-5-hydroxy-4,5-dimethyl-1-octyl-2-pyrrolone
4-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
1-Piperidinecarboxylic acid (4-phenylphenyl) ester
4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide
3-(3,5-Dimethylanilino)-5-(2-furanyl)-1-cyclohex-2-enone
4-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]butanoic acid hydrochloride
2-Methoxy-1-(1-methyl-2-benzimidazolyl)-1-phenylethanamine
2-{[(1-propyl-1H-benzimidazol-2-yl)methyl]amino}phenol
2-Hydroxymethyl-5-(7-methylamino-3H-pyrazolo[4,3-D]pyrimidin-3-YL)-tetrahydro-furan-3,4-diol
Pridopidine
C78272 - Agent Affecting Nervous System Pridopidine, a dopamine (DA) stabilizer, acts as a low affinity dopamine D2 receptor (D2R) antagonist. Pridopidine exerts high affinity towards sigma 1 receptor (S1R) with Ki between 70 and 80 nM, which is ~100× higher than its affinity toward D2R.
2-[2-(3,5-Dimethyl-2-oxo-cyclohexyl)-6-oxo-tetrahydro-pyran-4yl]-acetamide
N-[3-[(4-Aminobutyl)amino]propyl]-3,4-dihydroxybenzamide
(2S)-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
(2S)-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
(2S)-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N-methyl-
(2E,4E)-5-(3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate
Pisoniamide
A member of the class of cinnamamides that is trans-cinnamamide substituted by a 2-(4-methoxyphenyl)ethyl group at the nitrogen atom. It has been isolated from Pisonia aculeata.
4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
8-(3-ethoxypropylamino)-1,3-dimethyl-7H-purine-2,6-dione
2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-4,6-dimethyl-3-pyridinecarbonitrile
1-Oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile
N-[(E)-Furan-2-ylmethylideneamino]-8-methoxy-2-methylquinolin-4-amine
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-ethyl-1H-pyrimidine-2,4-dione
1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
1-ethyl-N-[(4-methoxyphenyl)methyl]-5-benzimidazolamine
5-(3-Phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
2-(2,4-Dimethylanilino)-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
(E)-1-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-8-ene-1,3-dione
1-Ethyl-2-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3-indole]one
4-[[[2-(Isopropyloxy)phenoxy]carbonyl]amino]butanoic acid
[(1R,2aR,8bR)-2-(3-pyridinylmethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aR,8bR)-2-(3-pyridinylmethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-(3-pyridinylmethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aS,8bS)-2-(3-pyridinylmethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
Ibogamine(1+)
A tertiary ammonium ion resulting from the protonation of the tertiary amino group of ibogamine. It is the major microspecies at pH 7.3.
5-[(Cyclohexanecarbonyl)amino]-3-(morpholin-4-yl)-1,2,3-oxadiazol-3-ium
(11bS)-11b-methyl-3,4,6,7,11b,12-hexahydro-1H-isoquino[2,1-a]quinoline-1,13(2H)-dione
N-[(4E,8E,12E)-1,3-dihydroxytetradeca-4,8,12-trien-2-yl]acetamide
4-(3-(4-(2-Hydroxyethoxy)phenoxy)propyl)morphorine
N-[1-(1-Naphthyl)ethyl]-2,3-dimethyl-4-pentenamide
2-Amino-4,8-bis(methoxymethyl)azulene-1,3-dicarbonitrile
2-(3-Hydroxybutoxy)-N-(2-(ethylamino)ethyl)-3-pyridinecarboxamide
3-(carboxymethyl)-4-[(2E)-6-methylhepta-2,5-dien-2-yl]pyrrolidine-2-carboxylic acid
DIMINAZENE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
O(6)-Methyl-2-deoxyguanosine
O6-Methyldeoxy guanosine; DNA adduct is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione
3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid
fumisoquin A(1+)
A primary ammonium ion that is the conjugate acid of fumisoquin A, obtained from the protonation of the amino group. Major microspecies at pH 7.3.
cordysinin B
A member of the class of adenosines that is adenosine in which the hydroxy group at position 2 is replaced by a methoxy group. It has been isolated from the mycelia of Cordyceps sinensis.
2’-Deoxy-N1-methylguanosine
2’-Deoxy-N1-methylguanosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
PPARα/γ agonist 1
PPARα/γ agonist 1 is a potent and dual PPARα/γ partial agonist with EC50 values of 28 nM and 69 nM for PPARα and PPARγ, respectively. PPARα/γ agonist 1 is a promising prototype for dyslipidemia and diabetes research[1].
(1r,5s,16s)-5-hydroxy-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(2e,4e,12z)-1-(piperidin-1-yl)tetradeca-2,4,12-trien-8,10-diyn-1-one
(2e,7e,9e)-6,11-dihydroxy-n-(2-methylpropyl)dodeca-2,7,9-trienimidic acid
2-[(3z)-hex-3-en-1-yl]-1h,2h,3h,4h-pyrido[1,2-a]quinolin-6-one
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyldec-6-ene-1,3-dione
(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
(9s)-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol
(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
5,11-dihydroxy-9-methoxy-8-methyl-2-[(1z)-prop-1-en-1-yl]-7-oxa-9-azatricyclo[6.2.1.0¹,⁶]undec-3-en-10-one
2,4-dihydroxy-n-[(2s)-1-methoxy-1-oxopropan-2-yl]-3,5,6-trimethylbenzenecarboximidic acid
2-[(4e,6z)-3-oxonona-4,6-dien-1-yl]-1h-quinolin-4-one
(3s)-5-[(1e,3s,5s)-3,5-dimethyl-2-oxocyclohexylidene]-3-(c-hydroxycarbonimidoylmethyl)pentanoic acid
5'-o-methyladenosine
{"Ingredient_id": "HBIN011859","Ingredient_name": "5'-o-methyladenosine","Alias": "NA","Ingredient_formula": "C11H15N5O4","Ingredient_Smile": "COCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","Ingredient_weight": "281.27 g/mol","OB_score": "22.44657067","CAS_id": "NA","SymMap_id": "SMIT08694","TCMID_id": "NA","TCMSP_id": "MOL007215","TCM_ID_id": "NA","PubChem_id": "6480505","DrugBank_id": "NA"}
acetyllycofawcine
{"Ingredient_id": "HBIN014481","Ingredient_name": "acetyllycofawcine","Alias": "NA","Ingredient_formula": "C16H27NO3","Ingredient_Smile": "CC1CC23C4CCCN2CCCC3(C(C1O)CC4O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33364","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β- glucosidase
{"Ingredient_id": "HBIN018132","Ingredient_name": "\u03b2- glucosidase","Alias": "NA","Ingredient_formula": "C10H19NO8","Ingredient_Smile": "C(C1C(C(C(C(O1)OCC(CO)NC=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38177","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
