Exact Mass: 303.0873
Exact Mass Matches: 303.0873
Found 378 metabolites which its exact mass value is equals to given mass value 303.0873,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Evodiamine
Evodiamine is a member of beta-carbolines. Evodiamine is a natural product found in Vepris soyauxii, Cryptocarya, and other organisms with data available. Origin: Plant; Formula(Parent): C19H17N3O; Bottle Name:Evodiamine; PRIME Parent Name:Evodiamine; PRIME in-house No.:V0296; SubCategory_DNP: Monoterpenoid indole alkaloids, Indoloquinolizidine alkaloids, Indole alkaloids Formula(Parent): C19H17N3O; Bottle Name:Evodiamine; Origin: Plant; PRIME Parent Name:Evodiamine; PRIME in-house No.:V0296; SubCategory_DNP: Monoterpenoid indole alkaloids, Indoloquinolizidine alkaloids, Indole alkaloids Annotation level-1 (±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1]. Evodiamine is an alkaloid isolated from the fruit of Evodia rutaecarpa Bentham with diverse biological activities including anti-inflammatory, anti-obesity, and antitumor. Evodiamine is an alkaloid isolated from the fruit of Evodia rutaecarpa Bentham with diverse biological activities including anti-inflammatory, anti-obesity, and antitumor.
Flumazenil
Flumazenil is only found in individuals that have used or taken this drug.Flumazenil, an imidazobenzodiazepine derivative, antagonizes the actions of benzodiazepines on the central nervous system. Flumazenil competitively inhibits the activity at the benzodiazepine recognition site on the GABA/benzodiazepine receptor complex, thereby reversing the effects of benzodiazepine on the central nervous system. Flumazenil is a weak partial agonist in some animal models of activity, but has little or no agonist activity in man. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D020011 - Protective Agents > D000931 - Antidotes Flumazenil is a competitive GABAA receptor antagonist, used in the treatment of benzodiazepine overdoses.
NORFLURAZON
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4060; ORIGINAL_PRECURSOR_SCAN_NO 4056 ORIGINAL_ACQUISITION_NO 4060; CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4056 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4018; ORIGINAL_PRECURSOR_SCAN_NO 4016 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8632; ORIGINAL_PRECURSOR_SCAN_NO 8629 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4018; ORIGINAL_PRECURSOR_SCAN_NO 4016 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8613; ORIGINAL_PRECURSOR_SCAN_NO 8609 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4026; ORIGINAL_PRECURSOR_SCAN_NO 4022 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8558; ORIGINAL_PRECURSOR_SCAN_NO 8555 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8639; ORIGINAL_PRECURSOR_SCAN_NO 8637 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4017; ORIGINAL_PRECURSOR_SCAN_NO 4015 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4023; ORIGINAL_PRECURSOR_SCAN_NO 4018 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8625; ORIGINAL_PRECURSOR_SCAN_NO 8623 CONFIDENCE standard compound; INTERNAL_ID 206; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8604; ORIGINAL_PRECURSOR_SCAN_NO 8602
Fenamiphos
CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9511 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9468; ORIGINAL_PRECURSOR_SCAN_NO 9467 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9521; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9503; ORIGINAL_PRECURSOR_SCAN_NO 9502 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9453; ORIGINAL_PRECURSOR_SCAN_NO 9452 CONFIDENCE standard compound; INTERNAL_ID 1097; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9474; ORIGINAL_PRECURSOR_SCAN_NO 9473 Systemic agricultural nematocide. Cholinesterase inhibitor Fenamiphos is an organophosphate acetylcholinesterase inhibitor used as an insecticide C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D016573 - Agrochemicals D010575 - Pesticides
Delphinidin
Delphinidin, also known as delphinidin chloride (CAS: 528-53-0), belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. Thus, delphinidin is considered to be a flavonoid lipid molecule. Delphinidin is found, on average, in the highest concentration within a few different foods, such as bilberries, cowpea, and blackcurrants, and in a lower concentration in common beans, common pea, and wheats. Delphinidin has also been detected, but not quantified in, several different foods, such as Brussel sprouts, fruits, horseradish tree, pepper (C. pubescens), and macadamia nuts. This could make delphinidin a potential biomarker for the consumption of these foods. Delphinidin is an anthocyanin and a primary plant pigment. Delphinidin gives blue hues to flowers like violas and delphiniums. It also gives the blue-red colour of the grape that produces Cabernet Sauvignon, and can be found in cranberries (Wikipedia). BioTransformer predicts that delphinidin is a product of 5,7-dihydroxy-3-{oxy}-2-(3,4,5-trihydroxyphenyl)-1λ⁴-chromen-1-ylium metabolism via a glycoside-hydrolysis reaction occurring in human gut microbiota and catalyzed by an EC.3.2.1.X enzyme (PMID: 30612223). Widespread anthocyanidin found especies in blueberries, raspberries and red table wine. Glycosides also widespread. Delphinidin is found in many foods, some of which are macadamia nut (m. tetraphylla), oval-leaf huckleberry, napa cabbage, and sunburst squash (pattypan squash). 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=13270-61-6 (retrieved 2024-09-18) (CAS RN: 13270-61-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Chlorambucil
A nitrogen mustard alkylating agent used as antineoplastic agent for the treatment of various malignant and nonmalignant diseases. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed) L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Gynocardin
Glucoside from Pangium edule (football fruit). Gynocardin is found in rowal and fruits. Gynocardin is found in fruits. Glucoside from Pangium edule (football fruit
11-Deoxytetrodotoxin
D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
Pipemidic acid
Pipemidic acid is a member of the pyridopyrimidine class of antibacterials, which display some overlap in mechanism of action with analogous pyridone-containing quinolones. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Clofarabine
Clofarabine is a purine nucleoside antimetabolite that is being studied in the treatment of cancer. It is marketed in the U.S. and Canada as Clolar. In Europe and Australia/New Zealand the product is marketed under the name Evoltra. Clofarabine is used in paediatrics to treat a type of leukaemia called relapsed or refractory acute lymphoblastic leukaemia (ALL), only after at least two other types of treatment have failed. It is not known if the drug extends life expectancy. Some investigations of effectiveness in cases of acute myeloid leukaemia (AML) and juvenile myelomonocytic leukaemia (JMML) have been carried out. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Clofarabine, a nucleoside analogue for research of cancer, is a potent inhibitor of ribonucleotide reductase (IC50=65 nM) by binding to the allosteric site on the regulatory subunit[1].
Indoleacetyl glutamine
Indoleacetyl glutamine is indolic derivative of tryptophan. It is generated from indoleacetic acid. Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan. Indoleacetyl glutamine frequently occurs at low levels in urine and has been found in elevated levels in the urine of patients with hartnup disease, the characteristic symptoms of the disease are mental retardation and pellagra like skin rash. [HMDB] Indoleacetyl glutamine is indolic derivative of tryptophan. It is generated from indoleacetic acid. Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan. Indoleacetyl glutamine frequently occurs at low levels in urine and has been found in elevated levels in the urine of patients with hartnup disease, the characteristic symptoms of the disease are mental retardation and pellagra like skin rash.
(2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitine
(2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-4-hydroxy-3-methylpent-2-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular (2E)-4-hydroxy-3-methylpent-2-enedioylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-ethylglutarylCoA lyase deficiency (PMID: 32685354). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)methyl methanesulfonate
(2R)-1-(4-Iodophenyl)-N-propan-2-ylpropan-2-amine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals
5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-
Leflutrozole
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Evodiamine
(±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1].
(2S)-dihydrotricetin
(2s)-dihydrotricetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (2s)-dihydrotricetin can be found in a number of food items such as towel gourd, roman camomile, asian pear, and cornmint, which makes (2s)-dihydrotricetin a potential biomarker for the consumption of these food products.
Delphinidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium.
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
1-(1-oxo-3-phenylpropyl)-3alpha,4alpha-epoxy-5beta-acetyloxy-2-piperidone|3alpha,4alpha-epoxy-5beta-pipermethystine
5-beta-D-glucopyranosyloxy-4-methoxy-1-methyl-2-pyridone|ar-acalyphidone
2-((2,4-Dihydroxybenzoyl)amino)-4-methoxybenzoic acid
5-[(1E,3E,5E)-6-(3-chloro-pyrrol-2-yl)-5-methyl-hexa-1,3,5-trienyl]-2,2-dimethyl-furan-3-one|wallemia F
O7-Me-4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
Methyl 2,3-di-O-acetyl-4-(acetylamino)-4,6-dideoxyhexopyranoside #
6-Methoxy-8-(1-hydroxy-1-methylethyl)-7,8-dihydro-1,3-dioxolo[4,5-h]furo[2,3-b]quinoline
2-thio-5-((methylamino)methyl)uridine|2-thio-5-<(methylamino)methyl>uridine|5-methylaminomethyl-2-thio-uridine|5-Methylaminomethyl-2-thiouridin|5-methylaminomethyl-2-thiouridine
Me glycoside,N-Ac,2,4-di-O Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
(-)-8-(alpha-Hydroxy-isopropyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]chinolin-6-on|(-)-8-(alpha-hydroxy-isopropyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|8-(1-hydroxy-1-methyl-ethyl)-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|Hydroxylunin|hydroxylunine
(1alpha,2beta)-1,2-dihydroxy-9,10-[methylenebis(oxy)]galanthan-7-one|1alpha,2beta-dihydroxy-9,10-methanediyldioxy-galanthan-7-one|1alpha,2beta-dihydroxy-9,10-methylenedioxy-galanthan-7-one|7-oxodihydrolycorine|alpha-dihydro-lycorine-lactam|alpha-dihydrolycorine lactam|alpha-dihydrolycorinelactam
(13bS)-8,13,13b,14-tetrahydro-1-methylindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one|Latifoliamide D
(7aS,10R,11aR)-7a,8,9,10,11,11a-hexahydro-5,10-dihydroxy-2,8-dimethyl-4H-pyrano[2?,3?:4,5]benzofuro[2,3-b]pyridin-4-one|chrotacumine E
4-(5,7-dihydroxy-2-methyl-4-oxo-4H-chromen-6-yl)-1-methyl-piperidin-2-one|N-Me-4-(5,7-Dihydroyxy-2-methyl-6-chromanyl)-2-piperidone
6-methoxy-9,9-dimethyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h]pyrano[2,3-b]quinolin-8-ol|Pteleflorin|Pteleflorine
(±)-Evodiamine
(±)-Evodiamine, a quinazolinocarboline alkaloid, is a Top1 inhibitor. Evodiamine exhibits anti-inflammatory, antiobesity, and antitumor effects. (±)-Evodiamine inhibits the proliferation of a wide variety of tumor cells by inducing their apoptosis[1].
Pipemidic acid
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3075
Clofarabine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Clofarabine, a nucleoside analogue for research of cancer, is a potent inhibitor of ribonucleotide reductase (IC50=65 nM) by binding to the allosteric site on the regulatory subunit[1].
flumazenil
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D020011 - Protective Agents > D000931 - Antidotes Flumazenil is a competitive GABAA receptor antagonist, used in the treatment of benzodiazepine overdoses.
tert-Butyl 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
3-(4-ETHOXY-PHENYL)-3-[(FURAN-2-CARBONYL)-AMINO]-PROPIONIC ACID
methyl 5,5,5-trifluoro-4-(4-methoxy-2-methylphenyl)iminopentanoate
GPNA hydrochloride
GPNA hydrochloride is a well known substrate of the enzyme γ-glutamyltransferase (GGT). GPNA hydrochloride is a specific glutamine (Gln) transporter ASCT2 inhibitor. GPNA hydrochloride also inhibit Na+-dependent carriers, such as SNAT family (SNAT1/2/4/5), and the Na+-independent leucine transporters LAT1/2. GPNA reversibly induces apoptosis in A549 cells[1].
(CYCLOOCTA-1,5-DIENE)(PYRIDYL)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I)HEXAFLUOROPHOSPHATE
2-Acetamido-2-deoxy-4,6-O-isopropylidene-D-glucopyranose
1-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE DIHYDROCHLORIDE
2-Methoxy-3-(trifluoromethyl)pyridine-5-boronic acid pinacol ester
tert-butyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
3-CHLORO-4-(DIMETHYLCARBAMOYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
3,6-DIMETHOXY-5-NITRO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
Uracil,6-amino-5-(2-anilinoacetamido)-1,3-dimethyl- (5CI)
(4R,5R)-2-Chloro-3,4-dimethyl-2,5-diphenyl-1-oxa-3-aza-2-silacyclopentane
4-(2-AMINOMETHYL-MORPHOLIN-4-YLMETHYL)-BENZONITRILE DIHYDROCHLORIDE
1-[(2-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid
1-[(4-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid
1-[(3-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid
ETHYL 2-[BENZYLOXYCARBONYLIMINO]-3,3,3-TRIFLUORO-PROPIONATE
CarboxylicAcidPhenylMethylEsterHydrochloride,QuinaprilHcl
Thiazolidine, 2-(2,5-dimethoxyphenyl)-3-(methylsulfonyl)- (9CI)
6-chloro-3-methyl-1-phenyl-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine
3-[([[1-(4-CHLOROPHENYL)ETHYLIDENE]AMINO]OXY)METHYL]BENZOIC ACID
7-Hydroxycoumarin-3-carboxylic acid N-succinimidyl ester
6-METHOXYQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER
6-(1,3-Benzothiazol-2-yl)-4-oxo-1,4-dihydro-3-quinolinecarbonitri le
Benzyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
TETRAETHYL(AMINOMETHYLENE)BISPHOSPHONATE OXALATE SALT
Potassium 4-(phenylaminocarbonyl)phenyltrifluoroborate
Ethyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
1H-Indole-1-carboxylic acid, 5-acetyl-2-borono-, 1-(1,1-dimethylethyl) ester (9CI)
5,6-Dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-2(1H)-pyridinone
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetic acid
5-Bromo-2-(2-(tert-Butoxy)ethoxy)-3-methoxypyridine
3-Acetylmethyl-1-benzyloxy-2-fluoro-4-nitrobenzene
4-(dicyanomethylene)-2-methyl-6-(4-(dimethylamino)styryl)-4H-pyran
ETHYL 2-(2-[4-(TERT-BUTYL)PHENYL]-1,3-THIAZOL-4-YL)ACETATE
4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-naphthalen-1-imine
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline
1-Methyl-4-(4-nitro-2-(trifluoromethyl)benzyl)piperazine
1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane,hydrochloride
2-AMINO-4-(4-METHOXYPHENYL)-5H-INDENO[1,2-D]PYRIMIDIN-5-ONE
(3S,5R)-benzyl 3-hyd(3S,5R)-benzyl 3-hydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
3-BENZYL-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOTHIOAMIDE
d-(-)-a-4-hydroxyphenylglycine dane salt methyl potassium
4-[(DIPROPYLAMINO)SULFONYL]BENZENE-1-CARBONYL CHLORIDE
1,6-Dihydro-4-hydroxy-1-(4-methoxyphenyl)-2-methyl-6-(oxo)nicotinic acid ethyl ester
3-(3-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
methyl 1-(3-benzoylthioureido)-1H-pyrrole-2-carboxylate
ETHYL 2-ISOTHIOCYANATO-5-METHYL-4-PHENYLTHIOPHENE-3-CARBOXYLATE
ETHYL 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
Benzenemethanamine,N-(2-bromoethyl)-N- (phenylmethyl)-
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethoxy)aniline
7,7-dimethyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydrochromene-2,5-dione
n-hydroxy-4-(4-methoxyphenoxy)-3-nitrobenzenecarboximidamide
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
1-(3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRIMIDIN-2-AMINE
1-TERT-BUTYL 6-METHYL 3-FORMYL-1H-INDOLE-1,6-DICARBOXYLATE
2-(2,2,2-Trifluoroethoxy)pyridine-3-boronic acid pinacol ester
Iofetamine (123I)
V - Various > V09 - Diagnostic radiopharmaceuticals > V09A - Central nervous system > V09AB - Iodine (123i) compounds D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals C1446 - Radiopharmaceutical Compound
N-[3-(1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]benzamide
Glyclopyramide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
Sanfetrinem sodium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
N-(indol-3-ylacetyl)glutamine
A N(2)-acylglutamine that has indol-3-ylacetyl as the acyl group.
5-[hydroxy-(4-nitrophenoxy)phosphoryl]pentanoic Acid
2-chloro-N-phenyl-N-[(phenylcarbamoyl)amino]acetamide
5-(6-Amino-2-chloro-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol
2-[(4-aminophenyl)sulfanyl]-N-(3-nitrophenyl)acetamide
N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide
1-(4-Methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
2-[[6-(2-Furanyl)-3-pyridazinyl]thio]-1-(1-piperidinyl)ethanone
2-Chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester
8-(2,5-Dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
3-(4-Phenylamino-phenylamino)-2-(1H-tetrazol-5-YL)-acrylonitrile
D-nopalinate(1-)
Conjugate base of D-nopaline in which the three carboxy groups are anionic and the secondary amino and guanidino groups are cationic; major species at pH 7.3.
4-(beta-D-ribofuranosyl)aminobenzene 5-phosphate(2-)
(+)-Taxifolin(1-)
A flavonoid oxoanion that is the conjugate base of (+)-taxifolin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
(S)-4-(3-acetyl-5-hydroxy-4-oxo-1,4-dihydronapthalen-2-yl)-3-hydroxybutanoate
22-[(1R,3S)-5,9,10-trihydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate
2-((1R,3S),-1,9-dihydroxy-1-methyl-10-oxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetate
(+)-Epitaxifolin(1-)
The conjugate base of (+)-epitaxifolin arising from selective deprotonation of the 7-OH group; major species at pH 7.3.
(2S)-1-[(3S)-3-carboxylato-3-[(3-carboxylato-3-hydroxypropyl)azaniumyl]propyl]azetidin-1-ium-2-carboxylate
7-Hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-5-olate
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
7-methyl-7,8-dihydro-6H-dichromeno[3,2-c:2,3-d]pyridine
1-[[(1-Methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
1-(1-Adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone
2-(4-Chlorophenyl)-5-(2-oxolanylmethylamino)-4-oxazolecarbonitrile
N-[(E)-[2-(Difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
3-Chloro-4-[(1-ethyl-2-benzimidazolyl)thio]aniline
diethyl 6-methyl-4-oxo-4H-quinolizine-1,3-dicarboxylate
10-(Phenylmethyl)pyrimido[4,5-b]quinoline-2,4-dione
2,6-Diphenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
4,6-Dimethyl-3-(3-naphthalen-1-yl-acryloyl)-1H-pyridin-2-one
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
4-Acetamidobenzoic acid (2-chlorophenyl)methyl ester
(E)-1-(2-furyl)ethylidene-[2-methylimino-4-(2-thienyl)-4-thiazolin-3-yl]amine
2-(2-Furanyl)-3-(6-methyl-2-pyridinyl)-4-quinazolinone
1-[[(1,3-Dimethyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-methylphenyl)thiourea
2-[(1-methyl-3-indolyl)thio]-N-(2-thiazolyl)acetamide
2,4-Dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester
N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]cyclopentanecarboxamide
1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide
5-[(3-Hydroxypropylamino)methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
7-(4-Fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
2-[[4-(1-Pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrile
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(methylthio)phenyl]methanamine
3-amino-2,6-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one
6,8,10-Trimethylbenzo[4,5]cyclohepta[1,2-b]indole-9,11-diol
3-(2-Chloroanilino)-3-methylsulanyl-1-phenylprop-2-en-1-one
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide
(allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid
propan-2-yl 3a,8b-dihydroxy-2-methyl-4-oxo-3H-indeno[1,2-b]pyrrole-3-carboxylate
FENAMIPHOS
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D016573 - Agrochemicals D010575 - Pesticides
chlorambucil
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
2-Cyclopentene-1-carbonitrile, 1-(beta-D-glucopyranosyloxy)-4,5-dihydroxy-,(1alpha,4alpha,5beta)-
Dihydrexidine (hydrochloride)
Dihydrexidine hydrochloride (DAR-0100 hydrochloride) is a high potent, selective and full efficacy D1-like dopamine receptor (D1/D5) agonist, with an IC50 of 10 nM for D1 receptor. Dihydrexidine hydrochloride exhibits potent antiparkinsonian activity[1][2][3][4]. Dihydrexidine hydrochloride can stimulate YAP phosphorylation[5].
(1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
(13s)-13-(2-hydroxypropan-2-yl)-16-methyl-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15)-tetraen-10-one
2,5-dihydroxy-n-[2-hydroxy-4-(methoxycarbonyl)phenyl]benzenecarboximidic acid
3-imino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1⁷,¹¹.0¹,⁶]tetradecane-5,9,12,13,14-pentol
4-(5,7-dihydroxy-2-methyl-4-oxochromen-6-yl)-1-methylpiperidin-2-one
5,8,12,13-tetrahydroxy-8-(hydroxymethyl)-3-imino-10-oxa-2,4-diazatricyclo[7.3.1.0¹,⁶]tridecan-11-one
(12s)-12-hydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,14-tetraene-13,16,17-triol
8,10,16-trimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaene
(1s,4s,5s)-4,5-dihydroxy-2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile
(1s,2s,4r,5s)-4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
2-methyl-10-{[(1e)-2-phenylethenyl]amino}-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
n-{[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridin]-6-yl]methyl}ethanimidic acid
4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
12-hydroxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
3α,4α-epoxy-5β-pipermethystine
{"Ingredient_id": "HBIN007918","Ingredient_name": "3\u03b1,4\u03b1-epoxy-5\u03b2-pipermethystine","Alias": "NA","Ingredient_formula": "C16H17NO5","Ingredient_Smile": "CC(=O)OC1CN(C(=O)C2C1O2)C(=O)CCC3=CC=CC=C3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7187","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
