Exact Mass: 246.0746426
Exact Mass Matches: 246.0746426
Found 500 metabolites which its exact mass value is equals to given mass value 246.0746426,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Marmesin
Marmesin is a member of psoralens and a tertiary alcohol. 2-(2-Hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum arnottianum, and other organisms with data available. Nodakenetin is found in wild celery. Nodakenetin is a constituent of Angelica species Constituent of Angelica subspecies Nodakenetin is found in wild celery. (+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin. Marmesin is a natural product found in Coronilla scorpioides, Clausena dunniana, and other organisms with data available. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. (+)-Marmesin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=13849-08-6 (retrieved 2024-09-04) (CAS RN: 13849-08-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Aegelinol
Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent, an analgesic and a metabolite. It is an organic heterotricyclic compound, a delta-lactone, a secondary alcohol and a cyclic ether. Decursinol is a natural product found in Smyrniopsis aucheri, Phlojodicarpus villosus, and other organisms with data available. Aegelinol is found in fruits. Aegelinol is obtained from Aegle marmelos (bael fruit). obtained from Aegle marmelos (bael fruit). Aegelinol is found in fruits. D020536 - Enzyme Activators (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].
Nodakenetic
Nodakenetic, also known as (-)-marmesin or marmesin, (R)-isomer, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Nodakenetic is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nodakenetic can be found in wild celery, which makes nodakenetic a potential biomarker for the consumption of this food product. Nodakenetin is a marmesin with R-configuration. It has a role as a plant metabolite, a rat metabolite and a xenobiotic metabolite. It is an enantiomer of a (+)-marmesin. Nodakenetin is a natural product found in Zanthoxylum beecheyanum, Melicope barbigera, and other organisms with data available. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity.
Columbianetin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (S)-columbianetin is the (S)-(+)-enantiomer of columbianetin. It is an enantiomer of a (R)-columbianetin. Columbianetin is a natural product found in Campylotropis hirtella, Prangos tschimganica, and other organisms with data available. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
Torachrysone
Torachrysone is a member of naphthols. Torachrysone is a natural product found in Rheum palmatum, Rumex japonicus, and other organisms with data available. Isolated from seeds of Cassia tora (charota). Torachrysone is found in coffee and coffee products, herbs and spices, and pulses. Torachrysone is found in coffee and coffee products. Torachrysone is isolated from seeds of Cassia tora (charota).
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].
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].
(2~{S})-3-(2-oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
Naphazoline hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Naphazoline (Naphthazoline) hydrochloride is a potent α-adrenergic receptor agonist. Naphazoline hydrochloride reduces vascular hyperpermeability and promotes vasoconstriction. Naphazoline hydrochloride reduces the levels of inflammatory factors (TNF-α, IL-1β and IL-6), cytokines (IFN-γ and IL-4), IgE, GMCSF, and NGF。Naphazoline hydrochloride can be used for non-bacterial conjunctivitis research[1][2].
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.
7-hydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-2H-chromen-2-one
7-hydroxy-6-(3-hydroxy-3-methylbut-1-en-1-yl)-2H-chromen-2-one
7,8-dihydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
N2-Oxalylarginine
Constituent of the shoots of apple and pear trees (Malus subspecies). N2-Oxalylarginine is found in malus (crab apple) and pomes. N2-Oxalylarginine is found in pomes. N2-Oxalylarginine is a constituent of the shoots of apple and pear trees (Malus species).
Corticrocin
Isolated from paprika (Capsicum annuum). Corticrocin is found in many foods, some of which are yellow bell pepper, orange bell pepper, herbs and spices, and red bell pepper. Corticrocin is found in herbs and spices. Corticrocin is isolated from paprika (Capsicum annuum
Dihydrowyerone acid
Dihydrowyerone acid is found in pulses. Dihydrowyerone acid is a constituent of broad bean Vicia faba infected with Botrytis species. Constituent of broad bean Vicia faba infected with Botrytis subspecies Dihydrowyerone acid is found in pulses.
5,6-Dihydrouridine
Dihydrouridine is a pyrimidine which is the result of adding two hydrogen atoms to a uridine. Dihydrouridine is found only in tRNA molecules. An inhibitor of nucleotide metabolism. [HMDB] Dihydrouridine (abbreviated as D,[1] DHU, or UH2) is a pyrimidine nucleoside which is the result of adding two hydrogen atoms to a uridine, making it a fully saturated pyrimidine ring with no remaining double bonds. D is found in tRNA and rRNA molecules as a nucleoside; the corresponding nucleobase is 5,6-dihydrouracil. Because it is non-planar, D disturbs the stacking interactions in helices and destabilizes the RNA structure. D also stabilizes the C2’-endo sugar conformation, which is more flexible than the C3’-endo conformation; this effect is propagated to the 5’-neighboring residue. Thus, while pseudouridine and 2’-O-methylations stabilize the local RNA structure, D does the opposite.[2] The tRNAs of organisms that grow at low temperatures (psychrophiles) have high 5,6-dihydrouridine levels (40-70\\\% more on average) which provides the necessary local flexibility of the tRNA at or below the freezing point.[3] Dihydrouridine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5627-05-4 (retrieved 2024-07-01) (CAS RN: 5627-05-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 5,6-Dihydrouridine is a modified base found in conserved positions in the D-loop of tRNA in Bacteria, Eukaryota, and some Archaea. 5,6-Dihydrouridine is a modified base found in conserved positions in the D-loop of tRNA in Bacteria, Eukaryota, and some Archaea.
Aspartylhydroxyproline
Aspartylhydroxyproline is a dipeptide found in urine (PMID: 3782411). It is likely a proteolytic breakdown product of collagen. Aspartylhydroxyproline belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. L-alpha-Aspartyl-L-hydroxyproline is a dipeptide found in urine (PMID: 3782411). It is likely a proteolytic breakdown product of collagen. [HMDB]
Asparaginylasparagine
Asparaginylasparagine is a dipeptide composed of two asparagine residues. 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.
1-(3,4-Dihydroxy-5-methyl-2-oxolanyl)-5-fluoropyrimidine-2,4-dione
C9H11FN2O5 (246.06519680000002)
8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one
5-Fluoro-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
C9H11FN2O5 (246.06519680000002)
5,6-Dihydro-5-azacytidine
5'-Deoxy-5'-fluorouridine
C9H11FN2O5 (246.06519680000002)
9-Deaza-9-(3-thienylmethyl)guanine
Hydrazinecarbothioamide,2-[2-[2-(aminothioxomethyl)-2-methylhydrazinylidene]propylidene]-N-methyl-
1-[(2S,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
trioxyethylene dimethacrylate
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
(+)-marmesin
(+)-marmesin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one (+)-marmesin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-marmesin can be found in a number of food items such as common wheat, mango, broad bean, and rubus (blackberry, raspberry), which makes (+)-marmesin a potential biomarker for the consumption of these food products.
benzyl-6-hydroxy-2-cyclohexene-on-oyl
Benzyl-6-hydroxy-2-cyclohexene-on-oyl, also known as benzyl-hch, is a member of the class of compounds known as benzyloxycarbonyls. Benzyloxycarbonyls are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyl-6-hydroxy-2-cyclohexene-on-oyl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl-6-hydroxy-2-cyclohexene-on-oyl can be found in a number of food items such as sunflower, american pokeweed, tea, and black cabbage, which makes benzyl-6-hydroxy-2-cyclohexene-on-oyl a potential biomarker for the consumption of these food products.
7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
6-(4-hydroxy-3-methyl-2-butenyl)-7-hydroxy coumarin
2-Methoxy-4-oxo-6-phenyl-hexa-2,5-dienoic acid methyl ester
2-hydroxy-3 ,6-dimethyl-5-( 1-oxo-2,4-hexadienyl)-1 ,4-benzoquinone
(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-sulfate
C10H14O5S (246.05619140000002)
6-deoxyhaplopinol|7-[(E)-3-methyl-4-hydroxy-2-butenyloxy]coumarin
2-amino-N-(2-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
4-Hydroxy-2-methoxy-5-(1-oxo-2,4-hexadienyl)-benzaldehyde
1-(5-formyl-2-hydroxy-4-methoxyphenyl)-E,E-2,4-hexadien-1-one|5-Formyl-2-hydroxy-4-methoxy-(E,E)-sorbophenon|5-formyl-2-hydroxyl-4-methoxy-(E,E)-sorbophenone
Umbelliferone-(3-hydroxymethyl-1t.-buten-1-yl)-ether|Umbelliferone-<3-hydroxymethyl-1t.-buten-1-yl>-ether
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.
Methyl 2-(5-acetyl-2,3-dihydrobenzofuran-2-yl)propenoate
acetic acid (2E,8Z)-10-acetoxydeca-2,8-diene-4,6-diyn-1-yl ester
1-(p-hydroxybenzyl-)-2-methoxybenzene-3,4-diol|stenocephol
(R)-(+)-7-(2,3-epoxy-3-methylbutoxy)coumarin|(R)-(+)-7-(2,3-epoxy-3-methylbutoxy)-coumarin
Cordyol C
A catechol that is 5-methylbenzene-1,2-diol bearing a 3-hydroxy-5-methylphenoxy substituent at position 3.
Di-Me ether-6,7-Dihydroxy-2,3-dimethyl-1,4-naphthoquinone
3-Hydroxy-7-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
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-acetyl-2-isopropylidene-6-methoxy-benzofuran-3-one
benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
Aegelinol
Aegelinol is a member of coumarins. Aegelinol is a natural product found in Phlojodicarpus villosus and Angelica gigas with data available. Aegelinol is found in fruits. Aegelinol is obtained from Aegle marmelos (bael fruit). obtained from Aegle marmelos (bael fruit). Aegelinol is found in fruits. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1].
(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one
nodakenetin
Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2].
C14H14O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-, (5S,6S)
(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based on: CCMSLIB00000848272]
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based: Match]
56-Dihydrouridine
5,6-Dihydrouridine is a modified base found in conserved positions in the D-loop of tRNA in Bacteria, Eukaryota, and some Archaea. 5,6-Dihydrouridine is a modified base found in conserved positions in the D-loop of tRNA in Bacteria, Eukaryota, and some Archaea.
Asn-asn
A dipeptide formed from two L-asparagine units.
Benzyldisulfide
Dibenzyl disulfide is an endogenous metabolite.
Aegelinol
(±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1].
2-amino-5-chlorobenzophenone oxime
C13H11ClN2O (246.05598659999998)
Benzamide, 5-fluoro-2-hydroxy-N-(5-methyl-2-pyridinyl)- (9CI)
C13H11FN2O2 (246.08045180000002)
n-(4-aminophenyl)-3-chlorobenzamide
C13H11ClN2O (246.05598659999998)
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
3-(ISOINDOLIN-2-YL)PROPAN-1-AMINE DIHYDROCHLORIDE
C11H16Cl2N2 (246.06904759999998)
2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyran-4-one
2-Amino-4-(3,4-dimethylphenyl)thiophene-3-carboxamide
2-Amino-5-methyl-4-(4-methylphenyl)thiophene-3-carboxamide
3-FLUORO-4-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
ethyl 4-hydroxy-5-methoxynaphthalene-2-carboxylate
2-(4-Fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
C14H11FO3 (246.06921880000002)
Glycylglycylglycylglycine
Tetraglycine is a oligopeptide composed of four glycine monomers[1].
methyl 2-oxo-5-propan-2-ylcyclohepta[b]furan-3-carboxylate
N-BOC-2-CHLORO-4-FLUORO-5-PYRIDINAMINE
C10H12ClFN2O2 (246.05712939999998)
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)
2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
N-[(2R,3R,4R,5S,6R)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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].
Cyclic (p-methylbenzylidene)malonate2,2-propanediol
1H-Imidazole-4-carboxylicacid,5-[(4-pyridinylamino)carbonyl]-,hydrazide
C10H10N6O2 (246.08652000000004)
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)
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-ol
C10H10N6O2 (246.08652000000004)
4-prop-2-enyl-2,3-dihydro-1H-quinoxaline
C11H16Cl2N2 (246.06904759999998)
2-BENZYL-5,6-DIHYDROXY-PYRIMIDINE-4-CARBOXYLIC ACID
6-(4-Fluoro-2-methylphenyl)pyridazine-3-carboxylic acid hydrazide
6-(4-Fluoro-2-methylphenyl)pyridazine-3-carboxylic acid methyl ester
C13H11FN2O2 (246.08045180000002)
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)
[2-(4-METHOXY-PHENYL)-5-OXO-CYCLOPENT-1-ENYL]-ACETIC ACID
N-(4-Aminophenyl)-4-chlorobenzamide
C13H11ClN2O (246.05598659999998)
2-(4-FLUORO-BENZYLOXY)-BENZOIC ACID
C14H11FO3 (246.06921880000002)
2-Amino-N-(3-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
4-FLUORO-2-HYDROXY-4-METHOXYBENZOPHENONE
C14H11FO3 (246.06921880000002)
1-Hexyl-3-methylimidazolium Bromide
C10H19BrN2 (246.07315139999997)
4-Amino-N-(2-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
4-(3-Trifluoromethylphenoxy)tetrahydro-2H-pyran
C12H13F3O2 (246.08675940000003)
Azanidazole
C10H10N6O2 (246.08652000000004)
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
N-(Piperidin-4-yl)thiophene-2-carboxamide hydrochloride
C10H15ClN2OS (246.05935699999998)
2-Fluoro-5-methoxybiphenyl-3-carboxylic acid
C14H11FO3 (246.06921880000002)
2-FLUORO-3-METHOXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
N-(4-[(THIOPHEN-2-YLMETHYL)-AMINO]-PHENYL)-ACETAMIDE
Diethyl (4-fluorobenzyl)phosphonate
C11H16FO3P (246.08210479999997)
3,4-DIMETHOXYPHENYLSULFONYLETHANOL
C10H14O5S (246.05619140000002)
2-Fluoro-4-methoxybiphenyl-3-carboxylic acid
C14H11FO3 (246.06921880000002)
3-amino-4-chloro-N-phenylbenzamide
C13H11ClN2O (246.05598659999998)
5-Methyl-4-(4-methylphenyl)thiophene-3-carbohydrazide
4-[(3-FLUOROBENZYL)OXY]BENZENECARBOXYLIC ACID
C14H11FO3 (246.06921880000002)
4-[(2-Fluorobenzyl)oxy]benzoic acid
C14H11FO3 (246.06921880000002)
Ftalofyne
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER
C12H13F3O2 (246.08675940000003)
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-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)
1-(BICYCLO[3.1.0]HEXAN-3-YL)-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
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
3,4-DIFLUORO-3,4-DIMETHYLBENZOPHENONE
C15H12F2O (246.08561659999998)
ethyl 5-oxo-3-pyridin-4-yl-2H-1,2,4-triazine-6-carboxylate
5-(4-amino-phenylcarbamoyl)-3h-imidazole-4-carboxylic acid
3,4-DIFLUORO-3,5-DIMETHYLBENZOPHENONE
C15H12F2O (246.08561659999998)
N4-(4-METHYLPHENYL)-2-CHLOROISONICOTINAMIDE
C13H11ClN2O (246.05598659999998)
2-[4-(trifluoromethyl)phenoxy]oxane
C12H13F3O2 (246.08675940000003)
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
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)
3-(4-Chloro-4-biphenylyl)-1-propanol
C15H15ClO (246.08113699999998)
2-(Chloromethyl)benzyl 2-methylphenyl ether
C15H15ClO (246.08113699999998)
3-[5-(4-methoxy-phenyl)-furan-2-yl]-propionic 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)
5-(2,5-DIMETHYLPHENOXYMETHYL)FURAN-2-CARBOXYLICACID
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)
Pyruvaldehyde bis(N4,N4-dimethylthiosemicarbazone)
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
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
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
2-[(2-Cyclopropyl-2-oxoethyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile
1-(4-Chlorophenyl)-2-phenylpropan-2-ol
C15H15ClO (246.08113699999998)
(E)-5-(8-Oxo-5,6,7,8-tetrahydropyrrolo[2,3-c]azepin-4(1H)-ylidene)imidazolidine-2,4-dione
2-(beta-D-Glucopyranosyl)-5-methyl-1,3,4-oxadiazole
4-Butyl-5-propyl-1,3-selenazol-2-amine
C10H18N2Se (246.06351180000001)
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].
Marmesin
Nodakenetin is a marmesin with R-configuration. It has a role as a plant metabolite, a rat metabolite and a xenobiotic metabolite. It is an enantiomer of a (+)-marmesin. Nodakenetin is a natural product found in Zanthoxylum beecheyanum, Melicope barbigera, and other organisms with data available. A marmesin with R-configuration. (+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin. Marmesin is a natural product found in Coronilla scorpioides, Clausena dunniana, and other organisms with data available. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity.
Marmesine
Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2].
decursinol
D020536 - Enzyme Activators Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].
3-Hydroxy-4-methoxy-2-(2-phenylethenyl)-2,3-dihydropyran-6-one
3-carboxy-8-(methylsulfanyl)-2-oxooctanoate
C10H14O5S-2 (246.05619140000002)
1-[3,4-Dihydroxy-5-(hydroxyamino)oxolan-2-yl]-4-imino-1,3-diazinan-2-one
2-Propan-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)acrylamide
4-(1,3-Benzodioxol-5-ylhydrazinylidene)pyrazole-3,5-diamine
C10H10N6O2 (246.08652000000004)
1-(2-Amino-3-carboxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
6-[(E)-3-hydroxybut-1-enyl]-7-methoxychromen-2-one
N-[(E)-(2-methylphenyl)methylideneamino]thiadiazole-4-carboxamide
8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-hydroxychromen-2-one
3-(4-Methoxyphenyl)propyl hydrogen sulate
C10H14O5S (246.05619140000002)
(5S,6S)-5,6-Dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one
Smirino
Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent, an analgesic and a metabolite. It is an organic heterotricyclic compound, a delta-lactone, a secondary alcohol and a cyclic ether. Decursinol is a natural product found in Smyrniopsis aucheri, Phlojodicarpus villosus, and other organisms with data available. An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). D020536 - Enzyme Activators Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].
(-)-Columbianetin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
L-cysteine 2-naphthylamide
An L-cysteine derivative that is the amide obtained by formal condensation of the carboxy group of L-cysteine with the amino group of 2-naphthylamine.
sAJM589
sAJM589 is a Myc inhibitor which potently disrupts the Myc-Max heterodimer with an IC50 of 1.8 μM[1].
(3s)-3-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
7-hydroxy-6-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]chromen-2-one
7-hydroxy-6-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]chromen-2-one
6-hydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-2-one
7-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}chromen-2-one
1-(3,4-dihydroxy-5-methoxynaphthalen-2-yl)propan-2-one
6-methoxy-7-[(2-methylprop-1-en-1-yl)oxy]chromen-2-one
(1r,2s,4e,5s,5's)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-ol
4-amino-n-(2,6-dihydroxypyrimidin-4-yl)benzenecarboximidic acid
methyl 2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enoate
[4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
7-methoxy-8-[(1e)-3-oxobut-1-en-1-yl]-3,4-dihydro-1-benzopyran-2-one
7-hydroxy-6-(2-(r)-hydroxy-3-methylbut-3-enyl)coumarin
{"Ingredient_id": "HBIN013250","Ingredient_name": "7-hydroxy-6-(2-(r)-hydroxy-3-methylbut-3-enyl)coumarin","Alias": "NA","Ingredient_formula": "C14H14O4","Ingredient_Smile": "CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O","Ingredient_weight": "246.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10196","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12050842","DrugBank_id": "NA"}
9alpha-Hydroxyfraxinellone
{"Ingredient_id": "HBIN014048","Ingredient_name": "9alpha-Hydroxyfraxinellone","Alias": "(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; 3-Furan-3-yl-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one; 1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-6-hydroxy-3a,7-dimethyl-, (3R,3aR,6R)-; (3R,3aR,6R)-3-furan-3-yl-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; rel-(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one; InChI=1/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12+,14-/m1/s; (-)-(3R,3aR,6R)-3-(3'-Furanyl)-3a,7-dimethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one","Ingredient_formula": "C14H14O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "246.26","OB_score": "75.49531473","CAS_id": "128475-17-2","SymMap_id": "SMIT07908","TCMID_id": "NA","TCMSP_id": "MOL006259","TCM_ID_id": "NA","PubChem_id": "636856","DrugBank_id": "NA"}
(1s)-6-hydroxy-1-methoxy-8-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one
7-hydroxy-8,8-dimethyl-6h,7h-pyrano[3,2-g]chromen-2-one
7,8-dihydroxy-5-isopropyl-3-methylnaphthalene-1,2-dione
7-hydroxy-6-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]chromen-2-one
9-hydroxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
7-hydroxy-8-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]chromen-2-one
(8s)-6-hydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-2-one
3-methyl-4-[(1e,3e,5e)-6-methyl-7-oxoocta-1,3,5-trien-1-yl]furan-2,5-dione
8-hydroxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
n-(prop-2-en-1-yl)[(1h-indol-3-ylmethyl)sulfanyl]carboximidic acid
7-hydroxy-6-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]chromen-2-one
7-methoxy-11-(prop-1-en-2-yl)-4,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-5-one
[(2r)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
(11s)-7-methoxy-11-(prop-1-en-2-yl)-4,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-5-one
(8r)-8-(hydroxymethyl)-8-methyl-9h,10h-pyrano[2,3-h]chromen-2-one
5,8-dihydroxy-3-[(1e)-pent-1-en-1-yl]isochromen-1-one
6-hydroxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
1-(3,5-dihydroxy-4-methoxynaphthalen-2-yl)propan-2-one
2-[(2e,4e)-hexa-2,4-dienoyl]-5-hydroxy-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
2,3-dimethoxy-7-methyl-5h-benzo[7]annulene-1,4-dione
(2e)-3-(2,2-dimethyl-4-oxo-3h-1-benzopyran-6-yl)prop-2-enoic acid
[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)