Exact Mass: 341.114227
Exact Mass Matches: 341.114227
Found 500 metabolites which its exact mass value is equals to given mass value 341.114227,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-Isocorydine
C20H23NO4 (341.16269980000004)
Isocorydine is an aporphine alkaloid. Isocorydine is a natural product found in Sarcocapnos saetabensis, Thalictrum delavayi, and other organisms with data available. (S)-Isocorydine is found in cherimoya. (S)-Isocorydine is an alkaloid from Peumus boldus (boldo). (S)-Isocorydine belongs to the family of Aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system. See also: Peumus boldus leaf (part of). (S)-Isocorydine is found in cherimoya. (S)-Isocorydine is an alkaloid from Peumus boldus (boldo Alkaloid from Peumus boldus (boldo). (S)-Isocorydine is found in cherimoya and poppy. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2324 Isocorydine is isolated from Dicranostigma leptopodum (Maxim.) Fedde (DLF). Isocorydine combines with Doxorubicin (DOX) has a promising potential to eradicate hepatocellular carcinoma (HCC)[1]. Isocorydine is isolated from Dicranostigma leptopodum (Maxim.) Fedde (DLF). Isocorydine combines with Doxorubicin (DOX) has a promising potential to eradicate hepatocellular carcinoma (HCC)[1].
Corydalis L
C20H23NO4 (341.16269980000004)
(S)-tetrahydrocolumbamine is a berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. It is a berberine alkaloid and an organic heterotetracyclic compound. It is functionally related to a columbamine. (S)-Tetrahydrocolumbamine is a natural product found in Corydalis heterocarpa, Ceratocapnos heterocarpa, and other organisms with data available. A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2].
Corypalmine
C20H23NO4 (341.16269980000004)
(+/-)-Corypalmine is a natural product found in Corydalis heterocarpa var. japonica, Corydalis turtschaninovii, and other organisms with data available. Corypalmine is an alkaloid from Stephania cepharantha. Corypalmine is an antifungal. Corypalmine is an alkaloid from Stephania cepharantha. Corypalmine is an antifungal.
Propiconazole
C15H17Cl2N3O2 (341.06977620000004)
CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9692; ORIGINAL_PRECURSOR_SCAN_NO 9687 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9695; ORIGINAL_PRECURSOR_SCAN_NO 9694 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9733; ORIGINAL_PRECURSOR_SCAN_NO 9731 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9714; ORIGINAL_PRECURSOR_SCAN_NO 9713 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9736; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2400 C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 212 CONFIDENCE standard compound; INTERNAL_ID 8415 CONFIDENCE standard compound; INTERNAL_ID 2576 CONFIDENCE standard compound; INTERNAL_ID 4035 KEIO_ID T108; [MS2] KO009255 KEIO_ID T108
Naltrexone
C20H23NO4 (341.16269980000004)
Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of naloxone. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence. [PubChem] N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BB - Drugs used in alcohol dependence D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 2830 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tepraloxydim
C17H24ClNO4 (341.13937740000006)
CONFIDENCE standard compound; INTERNAL_ID 2335 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3178
2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
Cyclacillin
Cyclacillin is only found in individuals that have used or taken this drug. It is a cyclohexylamido analog of penicillanic acid. [PubChem]The bactericidal activity of cyclacillin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cyclacillin is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases. 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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01334
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
6-(alpha-D-Glucosaminyl)-1D-myo-inositol is a cleavage product of glycosylphosphatidylinositol phospholipase D. This enzyme catalyzes the following reaction: 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + H2O =. 6-(alpha-D-glucosaminyl)-1D-myo-inositol + 3-sn-phosphatidate. 6-(alpha-D-Glucosaminyl)-1D-myo-inositol is a cleavage product of glycosylphosphatidylinositol phospholipase D. This enzyme catalyzes the following reaction: 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + H2O = Same as: G12396
pavine
C20H23NO4 (341.16269980000004)
A racemate comprising equimolar amounts of (R,R)- and (S,S)-pavine.
protodeoxyviolaceinic acid
A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups.
1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside
sulpiride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 3027 CONFIDENCE standard compound; INTERNAL_ID 1685 Sulpiride is an orally active dopamine D2/D3 receptor antagonist. Sulpiride is an atypical antipsychotic agent of the benzamide family. Sulpiride can be used in research into anxiety, depression and breast cancer[1][2][3].
Alpha-hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
Alpha-hydroxymidazolam is a metabolite of midazolam. Midazolam, marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Sulpiride
Sulpiride is only found in individuals that have used or taken this drug. It is a dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed)In contrast to most other neuroleptics which block both dopamine D1 and D2 receptors, Sulpiride is more selective and acts primarily as a dopamine D2 antagonist. Sulpiride appears to lack effects on norepinephrine, acetylcholine, serotonin, histamine, or gamma-aminobutyric acid (GABA) receptors. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Sulpiride is an orally active dopamine D2/D3 receptor antagonist. Sulpiride is an atypical antipsychotic agent of the benzamide family. Sulpiride can be used in research into anxiety, depression and breast cancer[1][2][3].
Gravacridonediol
Gravacridonediol is found in herbs and spices. Gravacridonediol is an alkaloid from the root tissue cultures of Ruta graveolens (rue
Peroxysimulenoline
C20H23NO4 (341.16269980000004)
Peroxysimulenoline is found in fruits. Peroxysimulenoline is an alkaloid from the bark of Zanthoxylum simulans (Szechuan pepper
4-Hydroxynornantenine
4-Hydroxynornantenine is found in herbs and spices. 4-Hydroxynornantenine is an alkaloid from the wood of Laurelia sempervirens (Peruvian nutmeg). Alkaloid from the wood of Laurelia sempervirens (Peruvian nutmeg). 4-Hydroxynornantenine is found in herbs and spices.
Mycotoxin T 2
Isolated from seed pods of Moringa oleifera (horseradish tree). Mycotoxin T 2 is found in fats and oils, herbs and spices, and green vegetables. Mycotoxin T 2 is found in fats and oils. Mycotoxin T 2 is a mycotoxin T 2 is isolated from seed pods of Moringa oleifera (horseradish tree)
Histidyltryptophan
C17H19N5O3 (341.14878239999996)
Histidyltryptophan is a dipeptide composed of histidine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tryptophyl-Histidine
C17H19N5O3 (341.14878239999996)
Tryptophyl-Histidine is a dipeptide composed of tryptophan and histidine. 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.
4-hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
4-hydroxymidazolam is a metabolite of midazolam. Midazolam (marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Lactosamine
Lactosamine is a disaccharide composed of galactose b1,4-linked to N-acetylglucosamine, and is a common constituent of complex N-linked glycans in metazoans. Unmodified terminal lactosamine, however, is less typical in tissues, since it is often further modified by additional substitutions, such as fucose, sialic acid, or sulfate to form a number of significant receptor and signaling molecules. Lactosamine-containing glycans are also required for proper targeting and maintenance of olfactory axons, and may also function in other sensory regions.(PMID: 17111357). Isolated from human milk
Alkaloid A6
Alkaloid A6 is found in herbs and spices. Alkaloid A6 is an alkaloid A6 is an alkaloid from callus cultures of several Ruta species. Alkaloid from callus cultures of several Ruta subspecies Alkaloid A6 is found in herbs and spices.
HBOA glucuronide
2-Hydroxy-1,4-benzoxazin-3-one glucuronide (HBOA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).
2-Hydroxy-1,4-benzoxazin-3-one glucuronide
(+)-Thaliporphine
C20H23NO4 (341.16269980000004)
(2,5-Dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
C14H19N3O5S (341.10453640000003)
(2,5-Dioxopyrrolidin-1-yl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
C14H19N3O5S (341.10453640000003)
(2R,3S,4R,5R,8R,9S,10R,11R)-5-Amino-1,2,3,4,8,9,10,11-octahydroxydodecane-6,7-dione
(S)-Tetrahydrocolumbamine
C20H23NO4 (341.16269980000004)
(-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2]. (-)-Isocorypalmine (Tetrahydrocolumbamine), isolated from the crude base fraction of Corydalis chaerophylla, is a dopamine receptor ligand[1]. Recombinant CYP719A21 displays strict substrate specificity and high affinity (Km=4.63 ± 0.71 μM) for (-)-Isocorypalmine[2].
1-Acetylcodeine
C20H23NO4 (341.16269980000004)
Nep-IN-2
6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid
PF-06409577 is a potent and selective allosteric activator of AMPK α1β1γ1 isoform with an EC50 of 7 nM.
Codeine, acetate
C20H23NO4 (341.16269980000004)
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
7,8-Dimethoxy-1-(4-nitrophenyl)-3,5-dihydro-2,3-benzodiazepin-4-one
C17H15N3O5 (341.10116600000003)
Efaproxiral
C20H23NO4 (341.16269980000004)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XD - Sensitizers used in photodynamic/radiation therapy D006401 - Hematologic Agents > D000986 - Antisickling Agents C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate
Nitroxazepine
sialic acid thiol
C11H19NO9S (341.07804840000006)
Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-
3-Amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
N-[[(5S)-3-(4,6-Dihydropyrrolo[1,2-a][4,1]benzoxazepin-8-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
(S)-Corydine
C20H23NO4 (341.16269980000004)
(s)-corydine, also known as corydine hydrochloride or corydine, (R)-isomer, is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof (s)-corydine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-corydine can be found in barley and custard apple, which makes (s)-corydine a potential biomarker for the consumption of these food products.
4-methylthiobutyldesulfoglucosinolate
4-methylthiobutyldesulfoglucosinolate is a member of the class of compounds known as thioglycosides. Thioglycosides are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond. 4-methylthiobutyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-methylthiobutyldesulfoglucosinolate can be found in a number of food items such as grapefruit/pummelo hybrid, winged bean, european cranberry, and eggplant, which makes 4-methylthiobutyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
Histidinyl-Tryptophan
C17H19N5O3 (341.14878239999996)
Corydine
C20H23NO4 (341.16269980000004)
Corydine is a natural product found in Zanthoxylum oxyphyllum, Aconitum orientale, and other organisms with data available.
Norglaucin
C20H23NO4 (341.16269980000004)
Norglaucin is an isoquinoline alkaloid. Norglaucin is a natural product found in Annona purpurea, Corydalis turtschaninovii, and other organisms with data available.
Thalicmidine
C20H23NO4 (341.16269980000004)
5,8,13,13a-Tetrahydro-2,9-dimethoxy-13-methyl-6H-dibenzo[a,g]quinolizine-3,10-diol
C20H23NO4 (341.16269980000004)
(+)-1,2-Dimethoxy-3-hydroxy-9,10-methylenedioxynoraporphine
N-({[4-(Trifluoromethoxy)anilino]carbonyl}oxy)pyrazine-2-carboximidamide
C13H10F3N5O3 (341.07357060000004)
Monocrotaline N-Oxide
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 173 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 163 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 153 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 143 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 133 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 123 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 113 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 103 INTERNAL_ID 103; CONFIDENCE Reference Standard (Level 1)
5,6-dimethoxy-2-(3,4-dimethoxyphenyl)-1h-quinolin-4-one
(+)-1,2-dimethoxy-3-hydroxy-9,10-methylenedioxynoraporphine|S-(+)-3-hydroxynornantenine trifluoroacetic acid salt
4-amino-4-deoxy-alpha-D-glucopyranosyl alpha-D-glucopyranoside|4-Trehalosamin
B,HCl-2-Trehalosamine|B,HCL-Mannosylglucosaminide|Mannosylglucosaminide
6,7-dihydroxy-1-methyl-N-(6-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline
N-[4-hydroxy-(E)-cinnamoyl]-L-tyrosine methyl ester
desulfo-4-(methylsulfinyl)butyl GL|desulfoglucoraphanin|DS-GRA
methyl (3aR,11bR)-2,3-dihydro-11-hydroxy-10-methoxy-3-methyl-4-oxo-1H-benzo[6,7]indeno[1,7a-b]pyrrole-3a(4H)-carboxylate|sinoraculine
iotrochamide A|N-(Z)-2-methoxycinnamoyl-L-tyrosine
3,5-Bis(4-hydroxy-3-methoxyphenyl)-5,6-dihydropyridine-2(1H)-one
1-hydroxy-2,3,9-trimethoxy-7H-dibenzoquinoline-7-one|sinofranine
Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-,2-hydroxyethyl ester
C16H14F3NO4 (341.08748800000006)
(-)-8-oxo-2,11-dihydroxy-3,10-dimethoxyberberine|coreximine
(-)-8-oxo-3,10-dihydroxy-9,11-dimethoxy-5,6,13,14-tetrahydroberberine|pendulamine A
Pyranose-form-6-O-(2-Amino-2-deoxy-beta-D-glucopyranoxyl)-D-galactose
bisindolylmaleimide v
Bisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
2LCP0RBK6G
Monocrotaline N-Oxide, a monocrotaline metabolite, leads to DNA adduct formation in vivo[1].
Dapoxetine Hydrochloride
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
C16H23NO7_2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-3,4-dihydroxy-3,4,5-trimethyl-, 11-oxide
Levosulpiride
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Levosulpiride (RV-12309) is the (S)-enantiomer of sulpiride, which is a D2 receptor a antagonist, an atypical antipsychotic agent of the benzamide class.
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
1-Hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam. CONFIDENCE standard compound; INTERNAL_ID 2277
PROPICONAZOLE
C15H17Cl2N3O2 (341.06977620000004)
C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-Hydroxymidazolam
C18H13ClFN3O (341.07311300000003)
An imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam.
PC(2:0/2:0)
PC(2:0/2:0)[S]
PC(0:0/5:0)
C13H28NO7P (341.16033080000005)
PC(0:0/5:0)[U]
C13H28NO7P (341.16033080000005)
Ro 31-6045
Bisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
Biotin NHS
C14H19N3O5S (341.10453640000003)
His-TRP
C17H19N5O3 (341.14878239999996)
A dipeptide formed from L-histidine and L-tryptophan residues.
TRP-His
C17H19N5O3 (341.14878239999996)
Gravacridonediol
An acridone derivative with formula C19H19NO5. It is isolated from the roots of Ruta graveolens and Thamnosma rhodesica.
4-Hydroxynornantenine
9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
3-[3-(1,3-benzodioxol-5-yloxy)-2-oxopyrrolidin-1-yl]benzoic acid
2-Naphthalenecarboxamide,N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-
2-[4-(TERT-BUTYLDIMETHYLSILYLOXYMETHYL)-2-NITROPHENOXY]ACETIC ACID
METHYL 2-FLUORO-4-(PIPERIDINE-1-CARBONYL)-[1,1-BIPHENYL]-3-CARBOXYLATE
tert-Butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
2′-O-(2-Methoxyethyl)guanosine
2′-O-(2-Methoxyethyl)guanosine (2'-O-MOE-rG), a 2′-O-methoxyethyl-modified nucleoside, can be produced by enzymatic conversion (adenosine deaminase) from 2′-O-(2-methoxyethyl)-2,6-diaminopurine riboside. 2′-O-(2-Methoxyethyl)guanosine neither effectively phosphorylated by cytosolic nucleoside kinases, nor are they incorporated into cellular DNA or RNA[1][2].
2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)MALONIC ACID
4-BOC-1-(6-BROMO-2-PYRIDYL)PIPERAZINE
C14H20BrN3O2 (341.07388000000003)
tert-butyl 4-(6-bromopyridin-3-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
CCT128930
C18H20ClN5 (341.14071500000006)
CCT128930 is a ATP-competitive and selective inhibitor of AKT (IC50=6 nM for AKT2). CCT128930 has 28-fold selectivity over the closely related PKA kinase (IC50=168 nM) through the targeting of Met282 of AKT (Met173 of PKA-AKT chimera), as well as 20-fold selectivity over p70S6K (IC50=120 nM). Antitumor activity.
Leminoprazole
C19H23N3OS (341.15617480000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
4H-Benzo[4,5]cyclohepta[1,2-b]thiophene-4-ol,10-methoxy-4-(1-methyl-4-piperidinyl)-
N-methyl-1-(5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)methanamine
4-((4-AMINOPHENYL)SULFONYL)-1-(TERT-BUTYLOXYCARBONYL)PIPERAZINE
3-(1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl)acrylic acid
Cetraxate HCl
C17H24ClNO4 (341.13937740000006)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
4-TRIMETHYLAMMONIUM-2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYL IODIDE
Benzenesulfonamide,N-ethyl-4-methyl-N-(5-phenyl-2-furanyl)-
VU0152100
VU0152100 (VU152100) is a highly selective mAChR positive allosteric modulator (permeable to the blood-brain barrier). VU0152100 reverses Amphetamine-induced hypermotility in rats and increased levels of extracellular dopamine in nucleus accumbens and caudate-putamen. VU0152100 has good research potential in psychosis and cognitive impairment associated with mental disorders such as schizophrenia[1][2].
3-(5-Fluoro-2,4-dinitroanilino)-2,2,5,5,-tetramethyl-1-pyrrolidinyloxy
tert-Butyl 3-(2-(methylsulfonyl)pyrimidin-4-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
2-(4-CBZ-PIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID
C17H20BN3O4 (341.15467900000004)
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylate
ETHYL 4-(4-METHOXYPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
tert-butyl 4-(2-aminophenyl)sulfonylpiperazine-1-carboxylate
Clobenztropine
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
3-amino-2-nitro-1-phenyl-9,10-dihydrophenanthrene-4-carbonitrile
1-(1-BENZYLPIPERIDIN-4-YL)-5-CHLORO-1H-BENZO[D]IMIDAZOL-2(3H)-ONE
C19H20ClN3O (341.12948200000005)
methyl (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate
(E)-4-Methyl-N-(1-(2-(trifluoroMethyl)phenyl)ethylidene)benzenesulfonaMide
C16H14F3NO2S (341.06973000000005)
tert-Butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
3-CHLORO-N-METHYL-N-((3-(P-TOLYL)-1,2,4-OXADIAZOL-5-YL)METHYL)BENZAMIDE
N-(4-Fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
tert-butyl 4-(5-bromopyridin-3-yl)piperazine-1-carboxylate
C14H20BrN3O2 (341.07388000000003)
6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-5-CHLORONICOTINIC ACID
Benzamide, 3-fluoro-N-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxyphenyl)-
C19H13F2NO3 (341.0863452000001)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
1-[4-(4-Chlorophenyl)-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-4-Yl]methanamine
C18H20ClN5 (341.14071500000006)
Phendimetrazine tartrate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
Atropine oxide hydrochloride
C17H24ClNO4 (341.13937740000006)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Palifosfamide tromethamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Methanone, (6-methoxy-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-
2,5-Dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
C14H19N3O5S (341.10453640000003)
Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
C18H16FN3O3 (341.11756379999997)
3,5-Dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]isoxazole
N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide
C19H23N3OS (341.15617480000003)
2-[(2-Fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
N-[(1-ethyl-3-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide
2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide
C15H17Cl2N3O2 (341.06977620000004)
5-Cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
1-Hydroxy-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)-4-phenylpyrrole
Cyclacillin
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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
6-Hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
C20H11N3O3 (341.08003759999997)
Heptylpenicillin
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
(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoate
N-(6-Aminohexyl)-1-chloro-naphthalene-5-sulfonamide
Sulfanyl 5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
C11H19NO9S (341.07804840000006)
N-[[(5S)-3-(4,6-Dihydropyrrolo[1,2-a][4,1]benzoxazepin-8-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
4-[[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester
2-(1H-benzimidazol-2-ylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
C17H15N3O3S (341.0834080000001)
6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
C22H19N3O (341.15280440000004)
4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione
C18H16ClN3S (341.07534060000006)
2-[4-(4-nitrophenyl)-1-piperazinyl]-N-(2-pyridinyl)acetamide
C17H19N5O3 (341.14878239999996)
(2R,3R,4S,5R)-2-amino-3,4,6-trihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
4-benzyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide
C19H23N3OS (341.15617480000003)
1-(3,5-Dimethylphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
3-(3,7-Dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
1-(3-Chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thiourea
3-chloro-N-propan-2-yl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
N-(2-furanylmethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide
3-[3-(4-Tert-butylphenoxy)propyl]-1,3-benzothiazol-2-one
1-(5-Chloro-2-methoxyphenyl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]thiourea
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
C17H15N3O3S (341.0834080000001)
(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-thiazolidine-2,4-dione
N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
2-[(4-Fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
1-[4-[(2-Hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone
C17H15N3O3S (341.0834080000001)
[4-(2-Methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione
2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(2-oxolanylmethyl)acetamide
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-methoxyanilino)acetamide
N-[(E)-1-[4-[(2,2,2-Trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridine-3-carboxamide
2,4,7,9-tetrahydroxy-6-methyl-8-(2-methylbut-3-en-2-yl)-1-oxo-1H-phenalen-3-ol
(4-Fluorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(1R,2aS,8bS)-N-(3-fluorophenyl)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(1S,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1R,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aS,8bS)-N-(3-fluorophenyl)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
D-galacto-hexopyranosyl 2-amino-2-deoxy-D-gluco-hexopyranoside
5-(1,4-Diazepan-1-ylsulfonyl)-4-(difluoromethyl)isoquinoline
C15H17F2N3O2S (341.10094860000004)
2,3,9-Trihydroxy-7-methyl-5-(2-methylbut-3-en-2-yl)-4,6-dioxophenalen-1-olate
INDOLE-1-ACETIC ACID, 3-(p-FLUOROBENZOYL)-6-METHOXY-2-METHYL-
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] octanoate
C13H28NO7P (341.16033080000005)
(2-Hydroxy-3-pentanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
C13H28NO7P (341.16033080000005)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] pentanoate
2-Phenethylsulfanyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine
Ciclacillin
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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01334
6-(alpha-D-Glucosaminyl)-1D-myo-inositol
A D-glucosaminide consisting of 2-aminoglucosamine attached to 1D-myo-inositol at the 6-position via an alpha-linkage. Same as: G12396
ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate
2-valeryl-sn-glycero-3-phosphocholine
C13H28NO7P (341.16033080000005)
Lactosamine
A disaccharide that consists of D-glucosamine having a beta-D-galactosyl residue attached at position 4.
3-linalylflaviolin-2-olate
An organic anion that is the conjugate base of 3-linalylflaviolin, obtained by deprotonation of the 2-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
L-655708
L-655708 is a potent α5 subunit-selective GABAA receptor inverse agonist (Ki=0.45 nM).
(9bs,11r)-7,8,11-trimethoxy-2h,10h,11h-indolo[7a,1-a]isoquinoline-4,5-dione
4-methoxy-3-methyl-6-[4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]pyran-2-one
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
9'-hydroxy-7',8'-dimethoxy-1',5',6',10'b-tetrahydrospiro[cyclohexane-1,2'-pyrrolo[2,1-a]isoquinoline]-2,5-diene-3',4-dione
2-bromo-6-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
C17H28BrNO (341.13541380000004)
3,4,5-trihydroxy-6-methyloxan-2-yl 6-chloro-1h-indole-3-carboxylate
(12bs)-3,4-dihydroxy-10,11-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
(5s)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
4-methoxy-3-methyl-6-[(2e,4e)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]pyran-2-one
n-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)ethoxycarboximidic acid
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-15-ol
(11r,12s)-18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
4-[(3e,5e)-6-chloro-3-(chloromethylidene)hex-5-en-1-yl]-2-(hept-6-yn-1-yl)-1,3-thiazole
C17H21Cl2NS (341.07716860000005)
6,7-dihydroxy-1-methyl-n-(6'-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline
{"Ingredient_id": "HBIN012063","Ingredient_name": "6,7-dihydroxy-1-methyl-n-(6'-fructopyranosyl)-1,2,3,4-tetrahydroisoquinoline","Alias": "NA","Ingredient_formula": "C16H23NO7","Ingredient_Smile": "CC1C2=CC(=C(C=C2CCN1C3(C(C(C(CO3)O)O)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6032","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Annosqualine
{"Ingredient_id": "HBIN016232","Ingredient_name": "Annosqualine","Alias": "NA","Ingredient_formula": "C19H19NO5","Ingredient_Smile": "COC1=C2CCN3C(C2=CC(=C1OC)O)CC4(C3=O)C=CC(=O)C=C4","Ingredient_weight": "341.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12096980","DrugBank_id": "NA"}
Ariskanin A
{"Ingredient_id": "HBIN016753","Ingredient_name": "Ariskanin A","Alias": "AC1NSZ0Y; ariskanin a; methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate; 128397-31-9","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "COC1=C(C2=C(C(=C1)C(=O)OC)C(=CC3=CC=CC=C32)[N+](=O)[O-])OC","Ingredient_weight": "341.31","OB_score": "109.5065256","CAS_id": "128397-31-9","SymMap_id": "SMIT11790;SMIT14370","TCMID_id": "1691","TCMSP_id": "MOL010799","TCM_ID_id": "21669","PubChem_id": "5320068","DrugBank_id": "NA"}
aristolochic acid b ii methyl ester
{"Ingredient_id": "HBIN016803","Ingredient_name": "aristolochic acid b ii methyl ester","Alias": "NA","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),9,11,14(18)-tetraene-8,15-dione
(12s)-18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
(2r)-2-[(2s)-1,2-dihydroxypropan-2-yl]-5-hydroxy-11-methyl-1h,2h-furo[2,3-c]acridin-6-one
(2z,7z)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
6-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
18-hydroxy-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
5-({6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)-2h-1,3-benzodioxol-4-ol
(1s,4s,5r)-4-hydroxy-5-methoxy-13-methyl-6-oxa-13-azapentacyclo[8.6.2.1¹,⁵.0⁷,¹⁷.0¹⁴,¹⁸]nonadeca-7(17),9,11,14(18)-tetraene-8,15-dione
1-(7-methoxyquinolin-4-yl)-9h-pyrido[3,4-b]indol-3-ol
(7r,13s,17s)-16-hydroxy-5,14,15-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,9,11,14-hexaen-8-one
1,3,5-trihydroxy-2-(2-hydroxy-3-methylbut-3-en-1-yl)-10-methylacridin-9-one
(2s,3s)-n-[(2s)-1-(3-chloro-4-hydroxyphenyl)-3-oxopentan-2-yl]-2-hydroxy-3-methylpentanimidic acid
C17H24ClNO4 (341.13937740000006)
4-[6-chloro-3-(chloromethylidene)hex-5-en-1-yl]-2-(hept-6-yn-1-yl)-1,3-thiazole
C17H21Cl2NS (341.07716860000005)
(2z,5s,7z)-14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
2,11-dihydroxy-3,10-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
3-hydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2(6),3,7(15),8,10,12,17(24),18,20-decaen-5-one
C20H11N3O3 (341.08003759999997)
(1r,12r)-16-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-20-ium-20-olate
(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-chloro-1h-indole-3-carboxylate
2-(2-hydroxy-4-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetonitrile
14,16-dimethoxy-8-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,13(17),14-heptaene-5,8,15-triol
(1r,12r,20r)-16-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-20-ium-20-olate
6,14-dihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one
C20H11N3O3 (341.08003759999997)
14,15,16-trimethoxy-18-oxa-10-azatetracyclo[7.7.1.1²,⁸.0¹³,¹⁷]octadeca-1(16),2,7,9(17),10,12,14-heptaen-5-ol
(12s)-17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
(2r,3r,4s,5r,6r)-2-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(12bs)-3,10-dihydroxy-2,4-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol
7,8,11-trimethoxy-2h,10h,11h-indolo[7a,1-a]isoquinoline-4,5-dione
n-[1-(3-chloro-4-hydroxyphenyl)-3-oxopentan-2-yl]-2-hydroxy-3-methylpentanimidic acid
C17H24ClNO4 (341.13937740000006)
(2r)-2-(3-hydroxy-4-methoxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
2-(3-hydroxy-4-methoxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-17-ol
methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate
16-hydroxy-5,14,15-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,9,11,14-hexaen-8-one
3-hydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2,6,8(13),9,11,14,17,19,21(24)-decaen-5-one
C20H11N3O3 (341.08003759999997)
3,4-dihydroxy-10,11-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
n-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethyl]ethanimidic acid
5-{[4-(2h-1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino}-2-hydroxy-3-methylimidazol-4-one
C16H15N5O4 (341.11239900000004)
3-(4-hydroxyphenyl)-n-[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]prop-2-enimidic acid
n-[(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]ethoxycarboximidic acid
1,3,5-trihydroxy-2-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-10-methylacridin-9-one
3,10-dihydroxy-2,4-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
(1r,2r,4s,5r)-6-{[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
n-[2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethyl]ethanimidic acid
16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene-13,18-diol
(12bs)-2,11-dihydroxy-3,10-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
5-hydroxy-16-oxa-4,14,18-triazahexacyclo[15.7.0.0²,⁶.0⁷,¹⁵.0⁸,¹³.0¹⁹,²⁴]tetracosa-1(17),2(6),4,7(15),8(13),9,11,19(24),20,22-decaen-3-one
C20H11N3O3 (341.08003759999997)
(1r,2r,3r,4s,5s,6s)-6-{[(2r,3s,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol
(12r,15s)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,16(20),17-hexaen-15-ol
(12s)-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
4-methoxy-3,5-dimethyl-6-[3-methyl-4-(4-nitrophenyl)buta-1,3-dien-1-yl]pyran-2-one
(3s,6z)-3-[2-hydroxy-2-(c-hydroxycarbonimidoylimino)ethyl]-6-(1h-indol-3-ylmethylidene)-3h-pyrazine-2,5-diol
C16H15N5O4 (341.11239900000004)
(10'br)-9'-hydroxy-7',8'-dimethoxy-1',5',6',10'b-tetrahydrospiro[cyclohexane-1,2'-pyrrolo[2,1-a]isoquinoline]-2,5-diene-3',4-dione
(2r)-2-[(4r)-1-(2,4-dihydroxybutyl)-2-iminoimidazolidin-4-yl]-3-[(2r)-4-methyl-5-oxo-2h-furan-2-yl]propanoic acid
C15H23N3O6 (341.15867779999996)
