Exact Mass: 246.0422096
Exact Mass Matches: 246.0422096
Found 500 metabolites which its exact mass value is equals to given mass value 246.0422096,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isopimpinellin
Isopimpinellin is a member of psoralens. Isopimpinellin is a natural product found in Zanthoxylum mayu, Zanthoxylum ovalifolium, and other organisms with data available. Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. See also: Angelica keiskei top (part of). Present in the seeds of Pastinaca sativa (parsnip). Isopimpinellin is found in many foods, some of which are carrot, anise, celery stalks, and fennel. Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
Pimpinellidine
Pimpinellin is a furanocoumarin. Pimpinellin is a natural product found in Dorstenia psilurus, Clausena anisata, and other organisms with data available. Pimpinellin is a furocoumarin. Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. Aglycone from hydrolysis of leaves and stems of Lycopersicon pimpinellifolium (currant tomato). Pimpinellidine is found in garden tomato. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1]. Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1].
Dimethylallylpyrophosphate
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a prenyl diphosphate(3-). Dimethylallylpyrophosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Dimethylallyl diphosphate is a natural product found in Centaurium erythraea, Streptomyces albidoflavus, and other organisms with data available. Dimethylallylpyrophosphate is a metabolite found in or produced by Saccharomyces cerevisiae. Dimethylallylpyrophosphate, also known as 2-isopentenyl diphosphate or delta-prenyl diphosphoric acid, belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Dimethylallylpyrophosphate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Dimethylallyl pyrophosphate (or -diphosphate) (DMAPP) is an intermediate product of both mevalonic acid (MVA) pathway and DOXP/MEP pathway. It is an isomer of isopentenyl pyrophosphate (IPP) and exists in virtually all life forms. A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol.
Floxuridine
C9H11FN2O5 (246.06519680000002)
An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection. Floxuridine is available as a sterile, nonpyrogenic, lyophilized powder for reconstitution. When administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. [PubChem] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Floxuridine (5-Fluorouracil 2'-deoxyriboside) is a?pyrimidine?analog?and known as an?oncology antimetabolite. Floxuridine inhibits Poly(ADP-Ribose) polymerase and induces DNA damage by activating the ATM and ATR checkpoint signaling pathways in vitro. Floxuridine is a extreamly potent inhibitor for S. aureus infection and induces cell apoptosis[1][2]. Floxuridine has antiviral effects against HSV and CMV[3].
Isopentenyl pyrophosphate
Isopentenyl pyrophosphate, also known as delta3-isopentenyl diphosphate or ipp, is a member of the class of compounds known as isoprenoid phosphates. Isoprenoid phosphates are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Thus, isopentenyl pyrophosphate is considered to be an isoprenoid lipid molecule. Isopentenyl pyrophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Isopentenyl pyrophosphate can be found in a number of food items such as american butterfish, conch, tea leaf willow, and butternut, which makes isopentenyl pyrophosphate a potential biomarker for the consumption of these food products. Isopentenyl pyrophosphate can be found primarily in human spleen tissue. Isopentenyl pyrophosphate exists in all living species, ranging from bacteria to humans. In humans, isopentenyl pyrophosphate is involved in several metabolic pathways, some of which include ibandronate action pathway, lovastatin action pathway, fluvastatin action pathway, and pravastatin action pathway. Isopentenyl pyrophosphate is also involved in several metabolic disorders, some of which include hypercholesterolemia, hyper-igd syndrome, lysosomal acid lipase deficiency (wolman disease), and wolman disease. Isopentenyl pyrophosphate (IPP, isopentenyl diphosphate, or IDP) is an isoprenoid precursor. IPP is an intermediate in the classical, HMG-CoA reductase pathway (commonly called the mevalonate pathway) and in the non-mevalonate MEP pathway of isoprenoid precursor biosynthesis. Isoprenoid precursors such as IPP, and its isomer DMAPP, are used by organisms in the biosynthesis of terpenes and terpenoids . Isopentenyl pyrophosphate, IPP or isopentenyl diphosphate, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. IPP is formed from Mevalonate-5-pyrophosphate, in a reaction catalyzed by the enzyme mevalonate-5-pyrophosphate decarboxylase. (wikipedia).
Oxydemeton-methyl
C6H15O4PS2 (246.01493599999998)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Fonofos
C10H15OPS2 (246.03019099999997)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3112
Busulfan
An alkylating agent having a selective immunosuppressive effect on bone marrow. It has been used in the palliative treatment of chronic myeloid leukemia (myeloid leukemia, chronic), but although symptomatic relief is provided, no permanent remission is brought about. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), busulfan is listed as a known carcinogen. [PubChem] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
5'-Deoxy-5-fluorouridine
C9H11FN2O5 (246.06519680000002)
5-Deoxy-5-fluorouridine is a metabolite of capecitabine. Capecitabine (Xeloda, Roche) is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to 5-fluorouracil in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. (Wikipedia) D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D019167 - Appetite Stimulants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01309 Doxifluridine has anticancer activity. Doxifluidine is a 5-FU prodrug. Doxifluridine is a thymidine synthase inhibitor. Doxifluridine can enhance tumor inhibition by synergizing with a variety of drugs[1][2][3].
Diammonium ethylenebis(dithiocarbamate)
C4H14N4S4 (246.01012839999999)
(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentanoic acid
Dibenzyl disulfide
Dibenzyl disulfide is an organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. It has a role as a metabolite. It is an organic disulfide and an organic aromatic compound. Dibenzyl disulfide is a natural product found in Petiveria alliacea with data available. An organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. Dibenzyl disulfide is a flavouring ingredien Flavouring ingredient Dibenzyl disulfide is an endogenous metabolite.
Coriandrone C
Constituent of Coriandrum sativum (coriander). Coriandrone C is found in coriander and herbs and spices. Coriandrone C is found in coriander. Coriandrone C is a constituent of Coriandrum sativum (coriander).
3-(3-hydroxyphenyl)propionate sulfate
3-[3-(sulfooxy)phenyl]propanoic acid, also known as 3-(3-Hydroxyphenyl)propanoate sulfate or Mhppa sulfate, is classified as a member of the phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 3-[3-(sulfooxy)phenyl]propanoic acid is considered to be a slightly soluble (in water) and an extremely strong acidic compound. 3-[3-(sulfooxy)phenyl]propanoic acid can be found in feces.
3-[4-(sulfooxy)phenyl]propanoic acid
3-[4-(sulfooxy)phenyl]propanoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(4-hydroxyphenyl)propanoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
Glycerophosphoglycerol
Glycerophosphoglycerol (CAS: 6418-92-4) belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chains. Glycerophosphoglycerol forms the head group of a class of glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site. Termed, phosphatidylglycerols (PG), these lipids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18, and 20 carbons are the most common.
1-(3,4-Dihydroxy-5-methyl-2-oxolanyl)-5-fluoropyrimidine-2,4-dione
C9H11FN2O5 (246.06519680000002)
5-Fluoro-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
C9H11FN2O5 (246.06519680000002)
5'-Deoxy-5'-fluorouridine
C9H11FN2O5 (246.06519680000002)
9-Deaza-9-(3-thienylmethyl)guanine
Hydrazinecarbothioamide,2-[2-[2-(aminothioxomethyl)-2-methylhydrazinylidene]propylidene]-N-methyl-
Iriflophenone
Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2]. Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2].
2-Methylbut-3-en-2-yl phosphono hydrogen phosphate
trioxyethylene dimethacrylate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Arctinone
Arctinone b is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinone b can be found in burdock, which makes arctinone b a potential biomarker for the consumption of this food product.
Magnesium sulfate heptahydrate
It is used in foods as a flavour enhancer, nutrient supplement and processing aid
(2R,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol
C10H15BrO2 (246.02553500000002)
(4R,6S,8S)-6-Bromo-1,4-epoxy-2-ochtoden-8-ol
C10H15BrO2 (246.02553500000002)
(2S,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol
C10H15BrO2 (246.02553500000002)
2,2,4,4-Tetrahydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3569 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3562; ORIGINAL_PRECURSOR_SCAN_NO 3559 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3550; ORIGINAL_PRECURSOR_SCAN_NO 3546 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3558; ORIGINAL_PRECURSOR_SCAN_NO 3554 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3564 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3561; ORIGINAL_PRECURSOR_SCAN_NO 3557 CONFIDENCE standard compound; INTERNAL_ID 8331
2,7,9-trimethyl-4H-pyrido[3,2:4,5]thieno[3,2-d][1,3]oxazin-4-one
1-[5-(1-propyn-1-yl)-[2,2-bithiophen]-5-yl]-ethanone|5-Acetyl-5?脣-(1-propynyl)-2,2?脣-bithiophene|arctinone b|arctinone-b
(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-sulfate
C10H14O5S (246.05619140000002)
(1R,5S)-2-Cyclopenten-1-carbonsaeure-2-trans-allyl-3-chlor-1,5-dihydroxy-4-oxo-methylester|Me ester-(1R, 5S)-(E)-3-Chloro-1, 5-dihydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, 9CI
2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether
2-amino-N-(2-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
(5-but-3-en-1-ynyl-[2,2]bithiophenyl-5-yl)-methanol
Iriflophenone
Iriflophenone is a natural product found in Iris potaninii, Aquilaria sinensis, and Iris domestica with data available. D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2]. Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2].
3-(6-Hydroxy-1,3-hexadiynyl)-6-(1-propynyl)-1,2-dethiin
bis-(4-hydroxybenzyl)sulfide
An organic sulfide that consists of two 4-hydroxybenzyl groups covalently bound to a central sulfur atom. It is isolated from Gastrodia elata and Pleuropterus ciliinervis and exhibits neoroprotective activity.
6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone
2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol|2--5-<4-hydroxy-4,5-dihydro-thienyl-(2)-aethinyl>-thiophen|5-(5-prop-1-ynyl-thiophen-2-ylethynyl)-2,3-dihydro-thiophen-3-ol
methyl 7-formyl-2,5-dihydro-5-oxo-1-benzoxepine-3-carboxylate
8-(2-Thienyl)-3t,5t-octadien-7-in-1-ol-acetat|Ac-(3E,5E)-8-(2-Thienyl)-3,5-octadien-7-yl-1-ol
5,8-dimethoxypsoralen|isopimpinellin|isopinpinellin
1-Benzoyl-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one
NOA407475
C8H11ClN4OS (246.03420659999998)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3234
busulfan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Isopimpinellin
Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]
4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]
Benzyldisulfide
Dibenzyl disulfide is an endogenous metabolite.
(5-(but-3-en-1-yn-1-yl)-[2,2-bithiophen]-5-yl)methanol
4-(3-METHYL-1-BENZOTHIEN-2-YL)-1,3-THIAZOL-2-AMINE
HISPIDIN
Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). Hispidin, a PKC inhibitor and a phenolic compound from Phellinus linteus, has been shown to possess strong anti-oxidant, anti-cancer, anti-diabetic, and anti-dementia properties[1].
2-amino-5-chlorobenzophenone oxime
C13H11ClN2O (246.05598659999998)
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanohydrazide
C7H11BrN4O (246.01161759999997)
n-(4-aminophenyl)-3-chlorobenzamide
C13H11ClN2O (246.05598659999998)
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE
C13H11ClN2O (246.05598659999998)
3-[(3-fluorobenzyl)oxy]benzoic acid
C14H11FO3 (246.06921880000002)
1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-
C13H11ClN2O (246.05598659999998)
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
1-(4-Chlorobenzyl)piperazine hydrochloride
C11H16Cl2N2 (246.06904759999998)
2-[(3-Fluorophenoxy)methyl]benzoic acid
C14H11FO3 (246.06921880000002)
2-Amino-9(10H)-acridinone hydrochloride (1:1)
C13H11ClN2O (246.05598659999998)
METHYL 5,6-DIHYDROXY-2-PHENYLPYRIMIDINE-4-CARBOXYLATE
5-[(1E)-2-(4-Chlorophenyl)ethenyl]-1,3-benzenediol
Guanoxabenz
C8H8Cl2N4O (246.00751379999997)
C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
3-(ISOINDOLIN-2-YL)PROPAN-1-AMINE DIHYDROCHLORIDE
C11H16Cl2N2 (246.06904759999998)
5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL
C9H5F3N2OS (246.00746759999998)
4-chloro-2-methyl- [1,1-Biphenyl]-3-carboxylic acid
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid
3-FLUORO-4-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
4-CHLORO-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-(4-Fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
C14H11FO3 (246.06921880000002)
Acetamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-
N-BOC-2-CHLORO-4-FLUORO-5-PYRIDINAMINE
C10H12ClFN2O2 (246.05712939999998)
1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene
C10H12BrFO (246.00554939999995)
2-FLUORO-5-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
5-FLUORO-2-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
METHYL 5-(TERT-BUTYL)-3-(CHLOROMETHYL)THIOPHENE-2-CARBOXYLATE
7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
Alpha-naphthyl acid phosphate monosodium salt
C10H8NaO4P (246.00578979999997)
p-(chloromethyl)phenyltrimethoxysilane
C10H15ClO3Si (246.04789499999998)
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-ol
C12H7FN2OS (246.02631039999997)
Ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate
4-OXO-4H-BENZO[D]PYRIMIDO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID
2-Deoxy-2-fluorouridine
C9H11FN2O5 (246.06519680000002)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D006133 - Growth Substances > D006131 - Growth Inhibitors 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)uracil is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1]. 2'-Deoxy-2'-fluorouridine can be used as an intermediate for antiinfluenza virus agents synthesis[1].
3-CHLORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-amino-4-(methoxycarbonylamino)benzenesulfonic acid
6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
C13H11ClN2O (246.05598659999998)
8-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
C13H11ClN2O (246.05598659999998)
4-prop-2-enyl-2,3-dihydro-1H-quinoxaline
C11H16Cl2N2 (246.06904759999998)
3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid
((4-(DIMETHYLAMINO)PHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
C11H16Cl2Si (246.03982759999997)
2-BENZYL-5,6-DIHYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID
1H-IMIDAZOLE, 2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-
C10H6ClF3N2 (246.01715819999998)
ETHYL 4-HYDROXY-2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
1,3-Dimethyluracil-5-trifluoroborate potassium salt
4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol
[(2S)-2,3-dihydroxypropyl] 4-methylbenzenesulfonate
C10H14O5S (246.05619140000002)
3-FLUORO-5-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
4-FLUORO-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
N-(4-Aminophenyl)-4-chlorobenzamide
C13H11ClN2O (246.05598659999998)
2-(4-FLUORO-BENZYLOXY)-BENZOIC ACID
C14H11FO3 (246.06921880000002)
4-(CHLOROMETHYL)PHENYLTRIMETHOXYSILANE
C10H15ClO3Si (246.04789499999998)
2-Amino-N-(3-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
2-(4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
4-FLUORO-2-HYDROXY-4-METHOXYBENZOPHENONE
C14H11FO3 (246.06921880000002)
2-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,3-dioxolane
1-Hexyl-3-methylimidazolium Bromide
C10H19BrN2 (246.07315139999997)
METHYL2-(2-CHLORO-5-NITROPYRIMIDIN-4-YLAMINO)ACETATE
C7H7ClN4O4 (246.01558119999999)
4-Amino-N-(2-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ol
C9H5F3N2OS (246.00746759999998)
N-(Piperidin-4-yl)thiophene-2-carboxamide hydrochloride
C10H15ClN2OS (246.05935699999998)
2-[4-Fluoro-3-(methylsulfonyl)phenyl]-1,3-dioxolane
2-Fluoro-5-methoxybiphenyl-3-carboxylic acid
C14H11FO3 (246.06921880000002)
2-FLUORO-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
3,4-DIMETHOXYPHENYLSULFONYLETHANOL
C10H14O5S (246.05619140000002)
5-CHLORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
2-Fluoro-4-methoxybiphenyl-3-carboxylic acid
C14H11FO3 (246.06921880000002)
5-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
3-amino-4-chloro-N-phenylbenzamide
C13H11ClN2O (246.05598659999998)
Sodium 2-naphthyl hydrogen phosphate
C10H8NaO4P (246.00578979999997)
2-[(2-methylphenylthio)(methylthio)methylene]-malononitrile
3-(2-Methylimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride
trans-3-bromo-1-propen-1-ylboronic acid pinacol ester
Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate
4-[(3-FLUOROBENZYL)OXY]BENZENECARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
4-[(2-Fluorobenzyl)oxy]benzoic acid
C14H11FO3 (246.06921880000002)
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
C10H6ClF3N2 (246.01715819999998)
(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)(1H-imidazol-1-yl)methano ne
C11H7ClN4O (246.03083619999998)
4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
Mafenide Acetate
D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
2-[4-(4-fluorophenoxy)phenyl]acetic acid
C14H11FO3 (246.06921880000002)
5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
C10H6ClF3N2 (246.01715819999998)
5-TERT-BUTYL-2-METHOXY-BENZENESULFONYL CHLORIDE
C13H11ClN2O (246.05598659999998)
1H-1,2,4-Triazole-3-carboxamide,N-(2,3-dihydro-1,4-benzodioxin-6-yl)-(9CI)
2-(BENZYLOXY)-4-FLUOROBENZOIC ACID
C14H11FO3 (246.06921880000002)
2-(4-Chlorophenyl)hydrazidebenzoicacid
C13H11ClN2O (246.05598659999998)
5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
METHYL 5-OXO-3,5-DIHYDRO-2H-OXAZOLO[2,3-B]QUINAZOLINE-8-CARBOXYLATE
5-[3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
C9H5F3N2OS (246.00746759999998)
ethyl 5-oxo-3-pyridin-4-yl-2H-1,2,4-triazine-6-carboxylate
4-amino-2-(4-chlorophenoxy)pyrimidine-5-carbonitrile
C11H7ClN4O (246.03083619999998)
6H-Dibenz(c,e)(1,2)oxaphosphorin-6-methanol 6-oxide
ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
5-(4-amino-phenylcarbamoyl)-3h-imidazole-4-carboxylic acid
N4-(4-METHYLPHENYL)-2-CHLOROISONICOTINAMIDE
C13H11ClN2O (246.05598659999998)
5-Pyrimidinecarboxylicacid, 4-chloro-2-(ethylthio)-, ethyl ester
METHYL 2-AMINO-8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLATE
2-METHYL-5-(1,2,3,4-TETRAHYDROXYBUTYL)-3-FUROIC ACID
ethyl 5-oxo-3-pyridin-2-yl-2H-1,2,4-triazine-6-carboxylate
Dichloro(methyl)(4-phenylbutyl)silane
C11H16Cl2Si (246.03982759999997)
6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
4,4,4-TRIFLUORO-1-(3-METHOXY-PHENYL)-BUTANE-1,3-DIONE
3-FLUORO-4-METHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
N-(5-chloropyridin-2-yl)-4-methylbenzamide
C13H11ClN2O (246.05598659999998)
(R)-Glycerol 1-(p-toluenesulfonate)
C10H14O5S (246.05619140000002)
4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid
3-[(4-FLUOROBENZYL)OXY]BENZOIC ACID
C14H11FO3 (246.06921880000002)
2-(4-Chlorophenylcarbamyl)aniline
C13H11ClN2O (246.05598659999998)
1,1,1,2,2-Pentafluoro-6,6-dimethyl-3,5-heptanedione
C9H11F5O2 (246.06791660000002)
Benzaldehyde,4-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
2,6-BIS(CHLOROMETHYL)-4-TOLYL ACETATE
C11H12Cl2O2 (246.02143120000002)
4-Chloro-2-(1-piperidin-4-ol)-thiazole-5-carboxaldehyde
6-(4-FLUOROPHENYL)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
C12H7FN2OS (246.02631039999997)
3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile
C13H11ClN2O (246.05598659999998)
(Z)-1-CHLORO-2-(2-(4-FLUOROPHENYL)PROP-1-EN-1-YL)BENZENE
C15H12ClF (246.06115139999997)
1beta-D-Ribofuranosyl-5-fluoropyrimidin-2(1H)-one
C9H11FN2O5 (246.06519680000002)
3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one
3-(3-sulfooxyphenyl)propanoic Acid
A monocarboxylic acid that is propionic acid carrying a 3-sulfooxyphenyl substituent at C-3.
Pyruvaldehyde bis(N4,N4-dimethylthiosemicarbazone)
1-[5-(Fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
C9H11FN2O5 (246.06519680000002)
N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamide
(E)-5-(8-Oxo-5,6,7,8-tetrahydropyrrolo[2,3-c]azepin-4(1H)-ylidene)imidazolidine-2,4-dione
4-Butyl-5-propyl-1,3-selenazol-2-amine
C10H18N2Se (246.06351180000001)
2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
Floxuridine
C9H11FN2O5 (246.06519680000002)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Floxuridine (5-Fluorouracil 2'-deoxyriboside) is a?pyrimidine?analog?and known as an?oncology antimetabolite. Floxuridine inhibits Poly(ADP-Ribose) polymerase and induces DNA damage by activating the ATM and ATR checkpoint signaling pathways in vitro. Floxuridine is a extreamly potent inhibitor for S. aureus infection and induces cell apoptosis[1][2]. Floxuridine has antiviral effects against HSV and CMV[3].
Doxifluridine
C9H11FN2O5 (246.06519680000002)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D019167 - Appetite Stimulants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01309 Doxifluridine has anticancer activity. Doxifluidine is a 5-FU prodrug. Doxifluridine is a thymidine synthase inhibitor. Doxifluridine can enhance tumor inhibition by synergizing with a variety of drugs[1][2][3].
Isopimpinellin
Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
3-((2-Chlorothiazol-5-yl)methyl)-5-methyl-1,3,5-oxadiazinan-4-imine
C8H11ClN4OS (246.03420659999998)
3-carboxy-8-(methylsulfanyl)-2-oxooctanoate
C10H14O5S-2 (246.05619140000002)
alpha-oxo-1-carboxy-4-tetrahydrothiopyranpropanoate S-oxide
4-(2-Carboxy-2-oxoethyl)-1-oxo-2,3-dihydrothiopyran-4-carboxylic acid
[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] dihydrogen phosphate
N-[(E)-(2-methylphenyl)methylideneamino]thiadiazole-4-carboxamide
[1-(2-Hydroxyphenyl)-3-oxopropan-2-yl] hydrogen sulate
[2-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulfate
[3-(2-Hydroxyphenyl)oxiran-2-yl]methyl hydrogen sulate
[(E)-3-(2,5-dihydroxyphenyl)prop-2-enyl] hydrogen sulfate
3-(4-Methoxyphenyl)propyl hydrogen sulate
C10H14O5S (246.05619140000002)
2-[(5-Bromo-4-pentynyl)oxy]tetrahydro-2H-pyran
C10H15BrO2 (246.02553500000002)
OXYDEMETON-METHYL
C6H15O4PS2 (246.01493599999998)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
3-[4-(sulfooxy)phenyl]propanoic acid
An aryl sulfate that is phenyl hydrogen sulfate substituted by a 2-carboxyethyl group at position 4. It is a human xenobiotic metabolite found in human plasma and urine after thyme consumption.
Isopentenyl diphosphate
A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.
4-(acetylamino)-3-hydroxyphenyl sulfate
A phenyl sulfate oxoanion that is the conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
sAJM589
sAJM589 is a Myc inhibitor which potently disrupts the Myc-Max heterodimer with an IC50 of 1.8 μM[1].
4-amino-n-(2,6-dihydroxypyrimidin-4-yl)benzenecarboximidic acid
[4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
7,8-dihydroxy-3-methyl-1h-pyrano[4,3-b]chromen-10-one
2,4'-dihydroxy-5-carboxy-dibenyl ether
{"Ingredient_id": "HBIN004320","Ingredient_name": "2,4'-dihydroxy-5-carboxy-dibenyl ether","Alias": "NA","Ingredient_formula": "C13H10O5","Ingredient_Smile": "C1=CC(=CC=C1O)OC2=C(C=CC(=C2)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(2r)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methanol
[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
6-[6-(prop-1-yn-1-yl)-1,2-dithiin-3-yl]hexa-3,5-diyn-1-ol
3-hydroxy-4-methoxy-[2,2'-bipyridine]-6-carboxylic acid
8,9-dihydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one
4-hydroxy-7-methoxy-1h,3h-naphtho[2,3-c]furan-5,8-dione
(6s)-5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione
3-(c-hydroxycarbonimidoyl)-1-methyl-4-oxoquinoline-2-carboxylic acid
(4r,6r,7as)-6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran-4-ol
C10H15BrO2 (246.02553500000002)
(9s)-5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one
6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione
(3r,6s,7ar)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
7-propanoyl-2h-[1,3]dioxolo[4,5-g]isochromen-5-one
6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran-4-ol
C10H15BrO2 (246.02553500000002)
(3s,6s,7ar)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
(3s,6r,7as)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
(3r,6r,7as)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one
7-(hydroxymethyl)-4-methoxyfuro[3,2-g]chromen-5-one
(4s,6s,7ar)-6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran-4-ol
C10H15BrO2 (246.02553500000002)