Exact Mass: 315.1295
Exact Mass Matches: 315.1295
Found 500 metabolites which its exact mass value is equals to given mass value 315.1295,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Trispherine
Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available.
Flusilazole
Flusilazole is an organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. It has a role as a xenobiotic, an environmental contaminant, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of monofluorobenzenes, a member of triazoles, an organosilicon compound, a conazole fungicide and a triazole fungicide. CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9550; ORIGINAL_PRECURSOR_SCAN_NO 9549 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9630; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9444; ORIGINAL_PRECURSOR_SCAN_NO 9441 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9537; ORIGINAL_PRECURSOR_SCAN_NO 9535 Highly potent broad-spectrum fungicide. Controls broad spectrum of diseases on economically important crops. Flusilazole is found in cereals and cereal products. Flusilazole is found in cereals and cereal products. Highly potent broad-spectrum fungicide. Controls broad spectrum of diseases on economically important crops. CONFIDENCE standard compound; INTERNAL_ID 4011 CONFIDENCE standard compound; INTERNAL_ID 2564 CONFIDENCE standard compound; INTERNAL_ID 8385 D016573 - Agrochemicals D010575 - Pesticides
Oxycodone
Oxycodone is only found in individuals that have used or taken this drug. It is a semisynthetic derivative of codeine that acts as a narcotic analgesic more potent and addicting than codeine. [PubChem]Oxycodone acts as a weak agonist at mu, kappa, and delta opioid receptors within the central nervous system (CNS). Oxycodone primarily affects mu-type opioid receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as oxycodone also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (kappa-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (mu and delta receptor agonist). This results in hyperpolarization and reduced neuronal excitability. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
(S)-3-Hydroxy-N-methylcoclaurine
(S)-3-Hydroxy-N-methylcoclaurine is an intermediate in the biosynthesis of alkaloids (KEGG ID C05202). It is the 10th to last step in the synthesis of morphine and is converted from (s)-N-methylcoclaurine via the enzyme tyrosinase [EC:1.14.18.1]. It is then converted to (S)-reticuline. [HMDB] (S)-3-Hydroxy-N-methylcoclaurine is an intermediate in the biosynthesis of alkaloids (KEGG ID C05202). It is the 10th to last step in the synthesis of morphine and is converted from (s)-N-methylcoclaurine via the enzyme tyrosinase [EC:1.14.18.1]. It is then converted to (S)-reticuline.
Nororientaline
An isoquinoline alkaloid consisting of a tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3.
Cephalotaxine
Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3]. Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3].
Neosaxitoxin
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents Neosaxitoxin is produced by Protogonyaulax and found in shellfis D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Codeine N-oxide
Codeine N-oxide is found in opium poppy. Codeine N-oxide is an alkaloid from Papaver somniferum (opium poppy). Alkaloid from Papaver somniferum (opium poppy). Codeine N-oxide is found in opium poppy.
N-Dihydroferuloyltyramine
N-Dihydroferuloyltyramine is found in fruits. N-Dihydroferuloyltyramine is an alkaloid from stems of cherimoya (Annona cherimola). Alkaloid from stems of cherimoya (Annona cherimola). N-Dihydroferuloyltyramine is found in fruits.
Erythratine
Erythratine is found in green vegetables. Erythratine is an alkaloid from the seeds of Erythrina glauca (gallito
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
(1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is an alkaloid from fermented radish root
Citpressine II
Citpressine II is found in citrus. Citpressine II is an alkaloid from the root of bark of Citrus depressa (Shekwasha mandarin
Rotigotine
Rotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinsons disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of 24 hours. Like other dopamine agonists, rotigotine has been shown to possess antidepressant effects and may be useful in the treatment of depression as well. Rotigotine was developed by Aderis Pharmaceuticals. In 1998, Aderis licensed worldwide development and commercialization rights for rotigotine to the German pharmaceutical company Schwarz Pharma (today a subsidiary of the Belgian company UCB S.A.). The drug has been approved by the EMEA for use in Europe in 2006 and is today being sold in several European countries. In 2007, the Neupro patch was approved by the Food and Drug Administration (FDA) as the first transdermal treatment of Parkinsons disease in the United States. However, as of 2008, Schwarz Pharma has recalled all Neupro patches in the United States and some in Europe because of problems with the delivery mechanism. Rotigotine has been authorized as a treatment for RLS since August 2008. D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
N'-Hydroxysaxitoxin
N-Hydroxysaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
(2R,3R,6S)-4-Methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-ol
3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
6-Amino-9-benzyl-2-(2-methoxyethoxy)-9H-purin-8-ol
Di-deacetyl adrogolide
Antramycin
N-(5-Fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
Synribo
Cephalotaxine is a benzazepine alkaloid isolated from Cephalotaxus harringtonia. It is a benzazepine alkaloid, a benzazepine alkaloid fundamental parent, an organic heteropentacyclic compound, an enol ether, a cyclic acetal, a secondary alcohol and a tertiary amino compound. Omacetaxine is a semisynthetic cephataxine that acts as a protein translation inhibitor and is used to treated chronic myeloid leukemia that is resistant to tyrosine kinase receptor antagonists. Omacetaxine is associated with a low rate of serum enzyme elevation during therapy, but has not been linked to cases of clinically apparent liver injury with jaundice. Cephalotaxine is a natural product found in Cephalotaxus hainanensis, Cephalotaxus harringtonia, and other organisms with data available. Omacetaxine is a protein translation inhibitor and cytotoxic plant alkaloid homoharringtonine isolated from the evergreen tree Cephalotaxus, with potential antineoplastic activity. Although the exact mechanism of action has not been fully elucidated, upon administration, omacetaxine targets and binds to the 80S ribosome in eukaryotic cells and inhibits protein synthesis by interfering with chain elongation. This reduces levels of certain oncoproteins and anti-apoptotic proteins. Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC. See also: Omacetaxine Mepesuccinate (active moiety of). D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D006248 - Harringtonines C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product A benzazepine alkaloid isolated from Cephalotaxus harringtonia. C1907 - Drug, Natural Product Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3]. Cephalotaxlen ((-)-Cephalotaxine) is an alkaloid that can be isolated from Cephalotaxus fortunei, with antileukemic and antiviral activities. Cephalotaxlen has anti-ZIKV (Zika virus) activity[1][2][3].
3,9-(2-Imino-1-methyl-4-imidazolidinone-5-yl)isopropenylpurine-6,8-dione
(S)-3-Hydroxy-N-methylcoclaurine
An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3.
Alachlor ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of alachlor. CONFIDENCE standard compound; EAWAG_UCHEM_ID 99
Acetochlor esa
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 103
N1-(2-Cyanoethyl)-N1-(3-pyridylmethyl)-4-methyl-1-benzenesulfonamide
5-[(E)-3-hydroxybut-1-enyl]-4-[4-[(E)-3-oxobut-1-enyl]anilino]oxolan-2-one
6-[(Acetyloxy)methyl]-5,6-dihydro-7-hydroxy-2,2-dimethyl-2H-pyrano[3,2-c]quinolin-5-one
5-(9H-beta-carbolin-1-yl)-5-hydroxy-5,6-dihydro-[2]pyrindin-7-one|Pauridianthinin|Pauridianthinine
17-demethylsinomenine|N-demethyl-sinomenine|N-demethylsinomenine
4-(3-methoxy-4-hydroxyphenyl)-4-<2-(acetylmethylamino)ethyl>cyclohexadienone
(7Z,10S,12Z,13aS)-7,13-epoxy-2,3,9,10,11,13a-hexahydro-5,6-dimethoxy-1H-cyclodec[ij]isoquinolin-10-ol|stephalonganine A
ANTHRAMYCIN
A member of the class of pyrrolobenzodiazepines that is (11aS)-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted at positions 2, 5, 8, 9 and 11R by a (1E)-3-amino-3-oxoprop-1-en-1-yl, oxo, methyl, hydroxy and hydroxy groups, respectively. It is a natural product isolated from Streptomyces refuineus subsp. thermotolerans. D000970 - Antineoplastic Agents
4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one
(7E)-N-(3,4,5-trihydroxyl)phenylethyl-4-hydroxyl-cinnamamide
Morphinan-6,14-diol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-
(5,8-dihydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|Renieron|Renierone
4-methoxy-1-methyl-3-(2S-acetoxy-3-ene-butyl)-2-quinolone
16-hydroxy-3beta,15-dimethoxy-erythrin-1(6)-en-2-one|Erysotinon|erysotinone
oxycodone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 1602 IPB_RECORD: 1423; CONFIDENCE confident structure
Flusilazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 97
Safranin
Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2561; CONFIDENCE confident structure
Safranine
Acquisition and generation of the data is financially supported in part by CREST/JST.
2,3-Dimethoxy-15-methyl-4b,5,6,9,8a,10-hexahydro-16-oxa-8a-aza-cyclopenta[a]phenanthren-17-one
Codeine N-Oxide
C17H21N3O3_10b-Hydroxy-3-isobutyl-6,10b,11,11a-tetrahydro-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
Hippeastrine
Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available. An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
Rotigotine
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Rotigotine is a potent dopamine receptor agonist with Ki values of 0.71?nM, 4-15?nM, and 83?nM for the dopamine D3 receptor and D2, D5, D4 receptors and dopamine D1 receptor. Rotigotine a partial agonist of the 5-HT1A receptor, and an antagonist of the α2B-adrenergic receptor. Rotigotine can be used for parkinson's disease (PD) research[1][2][3][4].
Erythratine
1-(2-sulfanylidenepyrrolidin-3-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
protizinic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
[4-(4-fluoro-phenyl)-piperazin-1-yl]-pyridin-4-yl-acetic acid
(R)-3-[((tert-Butoxy)carbonyl)amino]-4-(2,5-difluorophenyl)butanoic acid
2-(2-ISOPROPYLAMINO-THIAZOL-4-YL)-7-METHOXY-QUINOLIN-4-OL
[4-(4-fluoro-phenyl)-piperazin-1-yl]-pyridin-3-yl-acetic acid
diphenyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
BENZYL 2,4-DIOXO-3,4,5,6,8,9-HEXAHYDRO-1H-PYRIMIDO[4,5-D]AZEPINE-7(2H)-CARBOXYLATE
1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
N-(3-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
N-(2-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
5,6,7,8-TETRAHYDRO-6-(PHENYLMETHYL)-4H-THIENO[2,3-D]AZEPINE-2-CARBOXYLIC ACID, ETHYL ESTER
5-FLUORO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINEHYDROCHLORIDE
(5-HYDROXY-6-METHYLPYRIDINE-3,4-DIYL)DIMETHANOL 2-OXOPENTANEDIOATE
6-[propyl(2-thiophen-3-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
METHYL (2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2,5-DIFLUOROPHENYL)PROPANOATE
(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4-difluorophenyl)butanoic acid
3-((tert-butoxycarbonyl)amino)-4-(2,5-difluorophenyl)butanoic acid
3-[Bis(2-thienyl)methylene]octahydro-2H-quinolizine
BOC-(R)-3-AMINO-4-(3,4-DIFLUORO-PHENYL)-BUTYRIC ACID
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANESULFONAMIDE
2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propanyl )phenol
3-[(2-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
TERT-BUTYL 3-(2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXAN-5-YL)-3-OXOPROPYLCARBAMATE
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-[(3-methylphenyl)sulfonyl]-
tert-butyl 3-(quinoxalin-2-yloxy)pyrrolidine-1-carboxylate
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr ahydropyran-3,4,5-triol
(4-Amino-5-benzyl-pyrimidin-2-ylsulfanyl)-acetic acid allyl ester
2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(3-methoxyphenyl)-1-piperazinyl]-
TERT-BUTYL 3-OXO-2-PHENYL-2,3,4,5-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE
3-(4-FLUORO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(3-hydroxy-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
Tolmetin sodium dihydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
tert-Butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-1-carboxylate
Moxisylyte hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Moxisylyte (hydrochloride) is (alpha 1-blocker) antagonist, it can vasodilates cerebral vessels without reducing blood pressure. It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents. [1][2]
Morphinan-6,10-diol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5a,6a)-
Antramycin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
(S)-3-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid
Clobenzepam
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2-((tert-butoxycarbonyl)amino)-3-(naphthalen-1-yl)propanoic acid
DIETHYL 1,5-DIMETHYL-3-PHENYL-1H-PYRROLE-2,4-DICARBOXYLATE
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
N-(4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
Doxepin hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Doxepin hydrochloride is an orally active tricyclic antidepressant agent. Doxepin hydrochloride is a potent and selective histamine receptor H1 antagonist. Doxepin hydrochloride is also a potent CYP450 inhibitor and significantly inhibits CYP450 2C19 and 1A2[1][2]. Doxepin inhibits reuptake of serotonin and norepinephrine as a tricyclic antidepressant[3].. Doxepin has therapeutic effects in atopic dermatitis，chronic urticarial，can improve cognitive processes， protect central nervous system[4].. Doxepin has also been proposed as a protective factor against oxidative stress[5]..
Boc-(S)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid
6-chloro-N-cyclopentyl-5-(4-ethylphenyl)-2-methylpyrimidin-4-amine
N-(3-TriethylamMoniumpropyl)-4-Methylpyridinium dibromide
1-(9,10-DIHYDROANTHRACEN-9-YL)-3-(DIMETHYLAMINO)PROPAN-1-ONE HYDROCHLORIDE
4,5,7-TRI-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-LYXO-HEPT-2-ENONAMIDE
1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
(2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-[4-(DIMETHYLAMINO)PHENYL]ACRYLONITRILE
Benzenamine,N-[(4-methoxyphenyl)methylene]-4-(2-phenyldiazenyl)-
Trofinetide
C78272 - Agent Affecting Nervous System Trofinetide (NNZ-2566), a synthetic analogue of the endogenous N-terminus tripeptide, Glycine-Proline-Glutamate (GPE), has been shown to be neuroprotective in animal models of brain injury.
8-CHLORO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE-D5
3-Fluoro-4-propyl-[1,1:4,1-terphenyl]-4-carbonitrile
3-METHOXY-4-[3-(1-PYRROLIDINYL)PROPOXY]-BENZOIC ACID HYDROCHLORIDE
2-(3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)propyl)isoindoline-1,3-dione
(R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
Ramosetron Hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Ramosetron Hydrochloride(YM060 Hydrochloride) is a serotonin 5-HT3 receptor antagonist for the treatment of nausea and vomiting. Target: 5-HT3 Receptor Ramosetron hydrochloride selectively blocks serotonin receptors (5-HT3). Serotonin plays a vital role in vomiting, serotonin-induced bradycardic reflex and peristalsis. The pharmacological action of Ramosetron hydrochloride is sustained and potent.
1-(1-Ethoxycarbonyl-4-piperidinyl)-4-phenyl-4-imidazolin-2-one
benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
MPC 6827 hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-
N-(5-Fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
1-(4-Methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
Talibegron
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
3H-Pyrazolo[3,4-b]pyridin-3-one, 2,7-dihydro-4,6-dimethyl-2,7-diphenyl-
1-[Oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester
N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1-pyrazolyl)-1,2,4,5-tetrazin-3-amine
2-{[({1-[2-(4-Methoxyphenyl)cyclopropyl]ethylidene}amino)oxy]carbonyl}thiophene
4,6-Dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
(1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is an alkaloid from fermented radish root Alkaloid from fermented radish roots. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables.
(3R,9R,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
3-[[(E)-4-Methoxy-4-oxo-2-butenoyl]amino]-L-Ala-L-Val-OH
(1R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
(4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate
N-(2-ethoxyphenyl)-2-(4-methoxyphenoxy)propanamide
[4-[(2-Fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione
8-Chloro-5-isobutyl-1,2,3,4-tetrahydro-7-oxa-6,9,11-triaza-benzo[c]fluorene
N1-neopentyl-2-[1-(3,5-difluoro-2-hydroxyphenyl)ethylidene]hydrazine-1-carbothioamide
2-oxo-1,4-dihydroquinazoline-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide
N-(3,7-dimethyl-2,6-octadienylidene)-2-nitrobenzohydrazide
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
(12S)-4,5-Dimethoxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
Pyranonigrin E
A member of the class of pyranopyrroles with formula C18H21NO4, originally isolated from Aspergillus niger.
Val-FMDP
A dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-valine joined by peptide linkages.
6-Amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
4-Methyl-6-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-benzopyran-2-one
2-(2,3,4-Trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
1,3-Dimethyl-5-[1-(1-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
2-Ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester
2-(cinnamoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
1-(4-Methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea
5-[(4-Methoxy-2-methylanilino)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
N-(1-ethyl-5-benzimidazolyl)-4-methylbenzenesulfonamide
3-[3-(2-Methoxyphenoxy)propyl]-1,3-benzothiazol-2-one
N-(3-methoxypropyl)-2-(4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
(4Z)-5-methyl-4-[(1-methylindol-3-yl)methylidene]-2-phenylpyrazol-3-one
5,6-Dimethyl-1-(4-methylphenyl)sulfonyl-2-benzimidazolamine
N-(3,7-dimethyl-2,6-octadien-1-ylidene)-4-nitrobenzohydrazide
N-cycloheptyl-3-(5,7-dioxo-6-pyrrolo[3,4-b]pyridinyl)propanamide
[(E)-1-[5-(3-methylbutoxymethyl)-2-oxooxolan-3-yl]propan-2-ylideneamino]thiourea
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
5-(4-fluorophenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b]thiazol-4-ium-5-ol
(1-Methyl-3-imidazo[1,2-a]pyridin-4-iumyl)-diphenylmethanol
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
(2S)-2-amino-N-[(E)-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]-3-phenylpropanehydrazide (non-preferred name)
N-[(E)-(2,5-Dimethoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
6-[4-(2-chlorophenyl)piperazin-1-yl]-7H-purin-1-ium
N-hydroxy-1,3-dimethyl-3-nitrospiro[cyclohepta[d]imidazol-3-ium-2,4-cyclohexa-2,5-diene]-1-imine oxide
(1S)-1-(3-Hydroxy-4-methoxybenzyl)-2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
4-[3-Amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide
[(2R)-2-(4-chlorophenyl)cyclopropyl]-[4-(2-hydroxyethylamino)phenyl]methanone
2-Ethoxycarbonyl-3-ethyl-4-methyl-5-benzyloxycarbonyl-pyrrole
2,4-Diisopropyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
Neosaxitoxin
A pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic.
(±)-Rotigotine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
(1R*,3R*,3S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
gibberellin A9(1-)
A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A9, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2'-O-MOE-5-Me-rC
2'-O-MOE-5-Me-rC is an active compound. 2'-O-MOE-5-Me-rC can be used for oligonucleotide synthesis[1].
APX-115
APX-115 (Ewha-18278) is a potent, orally active pan NADPH oxidase (Nox) inhibitor with Ki values of 1.08 μM, 0.57 μM, and 0.63 μM for Nox1, Nox2 and Nox4, respectively. APX-115 effectively prevents kidney injury[1].
(3as,4r,10as)-6-amino-10,10-dihydroxy-4-[(c-hydroxycarbonimidoyloxy)methyl]-2-imino-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate
7,8-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinoline-5,11-diol
(1s,15r,16s)-5-hydroxy-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
1-{14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-4-yl}ethanone
(2s,3s,10r,12s)-12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraene
15,18-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene
9-{3h-pyrrolo[2,3-c]quinolin-4-ylmethyl}purin-6-amine
(1s,13s,15r)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene
(1s,4's,6r)-6-hydroxy-10',11'-dimethoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one
6-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-4-methoxyfuro[2,3-b]quinolin-7-ol
12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraene
(1s,18r,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol
(9bs,11r)-7-hydroxy-8,11-dimethoxy-1h,2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-12-one
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (2z)-2-methylbut-2-enoate
(10r)-2-hydroxy-10-{[(4z)-5-hydroxy-2-imino-3-methylimidazol-4-ylidene]methyl}-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),6-trien-5-one
(1r,13r,16r,18r)-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-one
n-{2-[1-(4-hydroxy-3-methoxyphenyl)-4-oxocyclohexa-2,5-dien-1-yl]ethyl}-n-methylacetamide
2-[(1r)-1-hydroxyethyl]-n-[2-(1h-indol-3-yl)ethyl]-1,3-thiazole-4-carboximidic acid
(1s,13r,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
(10s)-2-hydroxy-10-{[(4z)-5-hydroxy-2-imino-3-methylimidazol-4-ylidene]methyl}-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),6-trien-5-one
15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,13(17),14-pentaen-5-ol
2-[(5s,7s,7as)-5-(acetyloxy)-1-methyl-2,3,5,6,7,7a-hexahydroindol-7-yl]benzoic acid
(2s,3r,6r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-3-ol
(3s,9s)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene
1-(2'-pyrrolidinethion-3'-yl)-1,2,3,4-tetrahydro-β-carboline-3-carboxylicacid
{"Ingredient_id": "HBIN000967","Ingredient_name": "1-(2'-pyrrolidinethion-3'-yl)-1,2,3,4-tetrahydro-\u03b2-carboline-3-carboxylicacid","Alias": "NA","Ingredient_formula": "C16H17N3O2S","Ingredient_Smile": "C1CNC(=S)C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "18264","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-o-acetylsanguinine
{"Ingredient_id": "HBIN009043","Ingredient_name": "3-o-acetylsanguinine","Alias": "NA","Ingredient_formula": "C18H21NO4","Ingredient_Smile": "CC(=O)OC1CC2C3(CCN(CC4=C3C(=C(C=C4)O)O2)C)C=C1","Ingredient_weight": "315.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "506","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11197829","DrugBank_id": "NA"}
