Exact Mass: 292.0267354
Exact Mass Matches: 292.0267354
Found 360 metabolites which its exact mass value is equals to given mass value 292.0267354,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-hydroxyflutamide
2-hydroxyflutamide is a metabolite of flutamide. Flutamide is an oral nonsteroidal antiandrogen drug primarily used to treat prostate cancer. It competes with testosterone and its powerful metabolite, dihydrotestosterone (DHT) for binding to androgen receptors in the prostate gland. By doing so, it prevents them from stimulating the prostate cancer cells to grow. Flutamide has been largely replaced by a newer member of this class, bicalutamide, due to a better side-effect profile. (Wikipedia) CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4455; ORIGINAL_PRECURSOR_SCAN_NO 4452 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4545; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4476; ORIGINAL_PRECURSOR_SCAN_NO 4471 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4446; ORIGINAL_PRECURSOR_SCAN_NO 4442 CONFIDENCE standard compound; INTERNAL_ID 401; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4449; ORIGINAL_PRECURSOR_SCAN_NO 4447 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
1,8-DINITROPYRENE
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens CONFIDENCE standard compound; INTERNAL_ID 35
Carboxyphosphamide
In contrast to previous adult studies on urinary metabolites, plasma carboxyphosphamide concentrations did not support the existence of polymorphic metabolism. Plasma concentrations of dechlorethylcyclophosphamide and carboxyphosphamide were correlated in individual patients, suggesting that the activity of both aldehyde dehydrogenase and cytochrome P450 enzyme(s) determine carboxyphosphamide production in vivo. (PMID: 7850793) Detoxification of cyclophosphamide is effected, in part, by hepatic class 1 aldehyde dehydrogenase (ALDH-1)-catalyzed oxidation of aldophosphamide, a pivotal aldehyde intermediate, to the nontoxic metabolite, carboxyphosphamide. (PMID: 9394035) A key finding was the detection of a metabolite, most likely carboxyphosphamide, that is formed only by cytosols from cells expressing either class 3 or class 1 ALDH. (PMID: 8662659) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Carboxyifosfamide
Carboxyifosfamide is a metabolite of ifosfamide. Ifosfamide (also marketed as Mitoxana and Ifex) is a nitrogen mustard alkylating agent used in the treatment of cancer. It is sometimes abbreviated IFO. (Wikipedia) D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Etrimfos
C10H17N2O4PS (292.06466120000005)
Etrimfos is an Agricultural insecticid
clofop
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites
1,3-DINITROPYRENE
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Karanjin
Karanjin is an extended flavonoid. Karanjin is a natural product found in Fordia cauliflora, Millettia pulchra, and other organisms with data available. Karanjin is an orally active furanoflavonoid which can be isolated from several Leguminosae. Karanjin exhibits evident anti-diabetic, anti-cancer, anti-inflammatory, antioxidant, anticolitis, anti-ulcer, anti-Alzheimer properties and multiple insect repellent/insecticidal, acaricide properties, suggesting the potential of Karanjin to be applied to relevant research[1]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2].
Chlorosesamone
Chlorosesamone is found in fats and oils. Chlorosesamone is a constituent of the roots of Sesamum indicum (sesame) Constituent of the roots of Sesamum indicum (sesame). Chlorosesamone is found in fats and oils.
Bis(4-isothiocyanatobutyl) disulfide
Bis(4-isothiocyanatobutyl) disulfide is found in brassicas. Bis(4-isothiocyanatobutyl) disulfide is a constituent of salad rocket (Eruca sativa) Constituent of salad rocket (Eruca sativa). Bis(4-isothiocyanatobutyl) disulfide is found in brassicas.
Cordeauxione
Cordeauxione is found in nuts. Cordeauxione is isolated from leaf hairs of Cordeauxia edulis (yehib Isolated from leaf hairs of Cordeauxia edulis (yehib). Cordeauxione is found in nuts.
3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits. 3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is isolated from Musa acuminata infected with Colletotrichum musae. Isolated from Musa acuminata infected with Colletotrichum musae. 3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits.
Citreovirone
Citreovirone is a mycotoxin produced by the rice storage mould Penicillium citreo-viride. Mycotoxin production by the rice storage mould Penicillium citreo-viride.
2-Hydroxychlorpropamide
2-Hydroxychlorpropamide is a metabolite of Chlorpropamide. 2-hydroxychlorpropamide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
3-Hydroxychlorpropamide
3-Hydroxychlorpropamide is only found in individuals that have used or taken Chlorpropamide. 3-Hydroxychlorpropamide is a metabolite of Chlorpropamide. 3-hydroxychlorpropamide belongs to the family of Benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits. 3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is isolated from Musa acuminata infected with Colletotrichum musae. Isolated from Musa acuminata infected with Colletotrichum musae. 3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one is found in fruits.
S-methylazathioprine
S-methylazathioprine is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
4-Hydroperoxycyclophosphamide
(5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Karanjin
Karanjin is an orally active furanoflavonoid which can be isolated from several Leguminosae. Karanjin exhibits evident anti-diabetic, anti-cancer, anti-inflammatory, antioxidant, anticolitis, anti-ulcer, anti-Alzheimer properties and multiple insect repellent/insecticidal, acaricide properties, suggesting the potential of Karanjin to be applied to relevant research[1]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2].
1-Galactopyranosyl-5-fluorouracil
Tanshinol A
Vulgarol
Vulgarol, also known as 2,5-dihydroxy-3,6-diphenyl-1,4-benzoquinone, is a member of the class of compounds known as P-benzoquinones. P-benzoquinones are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. Vulgarol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Vulgarol can be found in mugwort, which makes vulgarol a potential biomarker for the consumption of this food product.
Brevifolincarboxylic acid
Brevifolincarboxylic acid belongs to isocoumarins and derivatives class of compounds. Those are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. Brevifolincarboxylic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Brevifolincarboxylic acid can be found in pomegranate, which makes brevifolincarboxylic acid a potential biomarker for the consumption of this food product. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Brevifolincarboxylic acid
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Brevifolincarboxylic
Brevifolincarboxylic acid is a natural product found in Melaleuca leucadendra, Euphorbia maculata, and other organisms with data available. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3]. Brevifolincarboxylic acid is extracted from Polygonum capitatum[1], has inhibitory effect on the aryl hydrocarbon receptor (AhR)[2]. Brevifolincarboxylic acid is an α-glucosidase inhibitor with an IC50 of 323.46 μM[3].
Xerulinic acid
7-Methoxy-2-phenyl-4H-furo[2,3-f][1]benzopyran-9-one
Karanjin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.329 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.324 Karanjin is an orally active furanoflavonoid which can be isolated from several Leguminosae. Karanjin exhibits evident anti-diabetic, anti-cancer, anti-inflammatory, antioxidant, anticolitis, anti-ulcer, anti-Alzheimer properties and multiple insect repellent/insecticidal, acaricide properties, suggesting the potential of Karanjin to be applied to relevant research[1]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2]. Karanjin is a major active furanoflavonol constituent of Fordia cauliflora. Karanjin induces GLUT4 translocation in skeletal muscle cells by increasing AMPK activity. Karanjin can induce cancer cell death through cell cycle arrest and enhance apoptosis[1][2].
9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
N(4)-Acetylsulfadiazine
A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
4-chloro-3,6,8-trihydroxy-1-methylxanthen-9-one
C14H9ClO5 (292.01384939999997)
9H-Xanthen-9-one, 2-chloro-1,3,6-trihydroxy-8-methyl-
C14H9ClO5 (292.01384939999997)
4H-Furo(2,3-h)-1-benzopyran-4-one, 2-(2-methoxyphenyl)-
2-Oxo-3-(alpha,3,4-trihydroxyphenethyl)-2H-pyran-6-carboxylic acid
3-(1-Hydroxy-3-oxobutyl)-4-oxo-7-hydroxy-4H-1-benzopyran-5-carboxylic acid
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
C11H14Cl2N2O3 (292.03814339999997)
1-Oxo-2-phenyl-pent-2-en-1,3,5-tricarbonsaeure|1-oxo-2-phenyl-pent-2-ene-1,3,5-tricarboxylic acid
2-Methyl-4-oxo-8,9-dihydroxy-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-10-carboxylic acid
1-Alcohol,Me ester-Aipha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid
3-Hydroxy-1,4-diphenyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
2,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthoquinone|6-Me ether-2,5,6,8-Tetrahydroxy-3-(2-oxopropyl)-1,4-naphthoquinone
2-acetoxy-4-[2,2]bithiophenyl-5-yl-but-3-yn-1-ol|5-(3-acetoxy-4-hydroxy-1-butynyl)-2,2-bithiophene|5-(4-Hydroxy-3-acetoxybutin-1-yl)-bithienyl-2,2
N4-Acetylsulfadiazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 248 CONFIDENCE standard compound; INTERNAL_ID 2013
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one [IIN-based on: CCMSLIB00000848722]
3-methoxy-2-phenylfuro[2,3-h]chromen-4-one [IIN-based: Match]
4-Chloro-N-[(2-hydroxypropyl)carbamoyl]benzenesulfonamide
NSC 652287
RITA is an inhibitor of p53-HDM-2 interaction, binds to p53dN, with a Kd of 1.5 nM, and also induces DNA-DNA cross-links.
3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
4-(2-METHOXY-BENZENESULFONYL)-PIPERAZINE HYDROCHLORIDE
C11H17ClN2O3S (292.06483620000006)
4-Thiazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
C14H16N2OS2 (292.07040059999997)
2-ETHOXY-5-(3-METHYL-UREIDO)-BENZENESULFONYL CHLORIDE
2-(3-METHYL-4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
2-bromo-1-(4-fluorophenyl)-2-phenylethanone
C14H10BrFO (291.98990019999997)
3-BROMO-4-FLUORO-3-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
C11H8ClF3N2O2 (292.02263739999995)
3-ALLYL-2-MERCAPTO-7-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
C14H16N2OS2 (292.07040059999997)
3-CHLORO-3,5-DIMETHOXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
5-Bromo-8-ethoxy-4-hydroxy-3-quinolinecarbonitrile
1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid,dihydrochloride
2-CHLORO-N-(5-CYCLOBUTYL-[1,3,4]THIADIAZOL-2-YL)-ACETAMIDE
5-bromo-3-((1-Methylpyrrolidin-2-yl)Methyl)-1H-indole
(7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-YL)-(4-METHOXYPHENYL)AMINE
Methanone, (2,4-dichlorophenyl)[(2R,3S)-3-phenyloxiranyl]-
O,O-diethyl O-[4-(methylthio)phenyl] thiophosphate
2-(2-Amino-phenylsulfanyl)-N-(2-chloro-phenyl)-acetamide
C14H13ClN2OS (292.04370780000005)
2-Bromo-6-(3-piperidinyloxy)pyridine hydrochloride
2-Bromo-6-(4-piperidinyloxy)pyridine hydrochloride
4-Hydroperoxycyclophosphamide
A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
1-(AMINOMETHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-ISOQUINOLINE DIHYDROCHLORIDE
4-BROMO-3-FLUORO-4-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
(4-(BENZYLOXY)-3-CHLORO-5-METHOXYPHENYL)BORONIC ACID
C14H14BClO4 (292.06736240000004)
6-CHLORO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
3-THIOPHENECARBOXYLIC ACID-5-METHYL-2-{2-(NITROPHENYL)AMINO}METHYL ESTER
(R)-5-Bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1H-indole
4-bromo-2-cyclobutyloxy-1-(difluoromethoxy)benzene
2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide
1-bromo-4-diethoxyphosphorylbenzene
C10H14BrO3P (291.98638840000007)
ETHYL 5-CHLORO-2-METHYL-4-SULFAMOYLPHENYLCARBAMATE
Ethyl {[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate
(2,3,4,5,6-pentafluorophenyl) 2-methylpyrazole-3-carboxylate
1-ETHYL-2-METHYL-5-[(TRIFLUOROMETHYL)SULFONYL]-1H-BENZIMIDAZOLE
2-(4-AMINO-3-CHLORO-PHENYL)-4-CHLORO-3H-BENZOIMIDAZOL-5-YLAMINE
ETHYL 5-CYANAMIDE-4-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
alpha-N-Dichloroacetyl-P-aminophenylserinol
C11H14Cl2N2O3 (292.03814339999997)
dimethyl 3-(4-chlorophenoxy)-2-oxopropylphosphonate
1-[(2-Bromophenyl)sulfanyl]-2,4-dimethylbenzene
C14H13BrS (291.99212780000005)
3-BROMO-3-FLUORO-4-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-(phenylsulfonyl)-
Dimethyl [3-(3-chlorophenoxy)-2-oxopropyl]phosphonate
5-bromo-1-(4-fluorophenyl)-phthalide
C14H10BrFO (291.98990019999997)
3-AMINO-5-(3-NITRO-PHENYL)-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid
C14H14BFO3S (292.07406960000003)
N-(2-CHLORO-3-PHENYLIMINO-1-PROPEN-1-YL)-ANILINE HYDROCHLORIDE
Ethyl 5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,4-oxadiazole -3-carboxylate
3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]propanoic acid
guaneran
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
dimethyl 5-chlorosulfonylbenzene-1,3-dicarboxylate
C10H9ClO6S (291.98083640000004)
2-(acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid
C9H9ClN2O5S (291.99206940000005)
4-BROMO-4-FLUORO-3-METHYLBENZOPHENONE
C14H10BrFO (291.98990019999997)
(4-Bromo-thiazol-2-yl)-Methyl-carbamic acid tert-butyl ester
Ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate
ethyl 6-chloro-2-(trifluoroMethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
C11H8ClF3N2O2 (292.02263739999995)
TRIETHYLSILYL 2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETATE
methyl 3-amino-5-(benzylamino)-6-chloropyrazine-2-carboxylate
5-(3-Borono-2,4,6-trifluorophenoxy)pentanoic acid
C11H12BF3O5 (292.07298480000003)
Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
2,2-Bithiophene-5-boronic Acid Pinacol Ester
C14H17BO2S2 (292.07629720000006)
(4,8-dioxothieno[3,2-f][1]benzothiol-2-yl)methyl acetate
diethoxyphosphorylmethylsulfonylbenzene
C11H17O5PS (292.05342820000004)
(2-morpholin-4-ylsulfonylphenyl)methanamine,hydrochloride
C11H17ClN2O3S (292.06483620000006)
5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
C16H9FN4O (292.07603559999995)
N-((4-Aminophenyl)sulfonyl)-N-(pyrimidin-2-yl)acetamide
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-(3-pyridinyl)-, (5R,6S)-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
4-Sulfanilamidobenzoic acid
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(3,5-Dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by chlorines while the third has been replaced by a hexanoyl group. It is the immediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). DIF-1 is released by developing Dictyostelium amoebae, inducing them to differentiate into stalk cells.
2-chloro-1-[5-(furan-2-yl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one
C14H9ClO5 (292.01384939999997)
1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
A differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells.
2-chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one
5-(2-thienyl)-4-{[(E)-2-thienylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
2-[7-(Carboxymethoxy)-4-methyl-2-oxo-1-benzopyran-3-yl]acetic acid
Perfosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Pergamid (TN)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
3,5,8-Trihydroxy-2-(2-oxopropyl)-7-methoxynaphthalene-1,4-dione
RITA (NSC 652287)
RITA is an inhibitor of p53-HDM-2 interaction, binds to p53dN, with a Kd of 1.5 nM, and also induces DNA-DNA cross-links.
4-(1-Imidazolyl)-3,5-dinitrobenzoic acid methyl ester
1-[(1,3-Benzothiazol-2-ylthio)methyl]-2-azepanone
C14H16N2OS2 (292.07040059999997)
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
4-[[(2,4-Difluoroanilino)-oxomethyl]amino]benzoic acid
C14H10F2N2O3 (292.06594540000003)
2-[(4-Chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
C14H13ClN2OS (292.04370780000005)
6-Chloro-2-[N-(2-nitro-benzylidene)-hydrazino]-pyrimidin-4-ylamine
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
1-(4-Chlorophenyl)sulfonyl-3-(3-hydroxypropyl)urea
Methyl 2-hydroxy-3-(4-hydroxy-3-sulooxyphenyl)propanoate
C10H12O8S (292.02528720000004)
2-Hydroxy-3-(4-methoxy-3-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
3-(3-Hydroxy-5-methoxy-4-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
2-Hydroxy-3-(3-methoxy-4-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
Methyl 3-(3,4-dihydroxyphenyl)-2-sulooxypropanoate
C10H12O8S (292.02528720000004)
2-(2-Hydroxy-4-methoxy-3-sulooxyphenyl)propanoic acid
C10H12O8S (292.02528720000004)
Carboxyphosphamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Carboxyifosfamide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards
Cysteinylglycine (TFA)
Cysteinylglycine TFA is an endogenous metabolite and used in disease diagnosis[1].
KRAS inhibitor-9
KRAS inhibitor-9, a potent KRAS inhibitor (Kd=92 μM), blocks the formation of GTP-KRAS and downstream activation of KRAS. KRAS inhibitor-9 binds to KRAS G12D, KRAS G12C and KRAS Q61H protein with a moderate binding affinity. KRAS inhibitor-9 causes G2/M cell cycle arrest and induces apoptosis. KRAS inhibitor-9 selectively inhibits the proliferation of NSCLC cells with KRAS mutation but not normal lung cells[1].
6-(hydroxymethyl)-1-methylphenanthro[1,2-b]furan-10,11-dione
(5r)-6,7,8-trihydroxy-1,3-dioxo-2h,5h-cyclopenta[c]isochromene-5-carboxylic acid
(4e)-7-methoxy-4-(phenylmethylidene)-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8,11-tetraen-5-one
4-{n-acetyl-n-[(1r)-1-carboxy-2-sulfanylethyl]-(c-hydroxycarbonimidoyl)amino}butanoic acid
2,5,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalene-1,4-dione
6-acetyl-2,5,8-trihydroxy-3-methoxy-7-methylnaphthalene-1,4-dione
6-acetyl-3,5,8-trihydroxy-2-methoxy-7-methylnaphthalene-1,4-dione
2-chloro-5,8-dihydroxy-3-prenyl-1,4-naphthoquinone
{"Ingredient_id": "HBIN005456","Ingredient_name": "2-chloro-5,8-dihydroxy-3-prenyl-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C15H13ClO4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8672","PubChem_id": "NA","DrugBank_id": "NA"}
14-(5-oxofuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
6,7,8-trihydroxy-1,3-dioxo-2h,5h-cyclopenta[c]isochromene-5-carboxylic acid
(2s)-8,9-dihydroxy-2-methyl-4-oxo-2h,3h,5h-pyrano[3,2-c]chromene-10-carboxylic acid
(4r)-4-(5-bromo-1h-indol-3-yl)-1,3-diazinan-2-imine
2,5-bis(3-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
(5s)-5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),6,9,11-tetraene-2,8-dione
(2r)-8,9-dihydroxy-2-methyl-4-oxo-2h,3h,5h-pyrano[3,2-c]chromene-10-carboxylic acid
5-[2-(3,4-dihydroxyphenyl)-1-hydroxyethyl]-6-oxopyran-2-carboxylic acid
2-chloro-3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
C14H9ClO5 (292.01384939999997)
4,6,11,12-tetrahydroxy-8-methoxy-10-methyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
3-(2,3-dihydroxy-5-methylphenoxy)-4,5-dihydroxybenzoic acid
(4s)-10-chloro-4,6,9-trihydroxy-8-methyl-3,4-dihydro-2h-anthracen-1-one
8,9-dihydroxy-2-methyl-4-oxo-2h,3h,5h-pyrano[3,2-c]chromene-10-carboxylic acid
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one
5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),6,9,11-tetraene-2,8-dione
(2r)-7,8,9-trihydroxy-3,5-dioxo-1h,2h-cyclopenta[c]isochromene-2-carboxylic acid
3-bromo-2-(hydroxymethyl)-4,5,6-trimethoxyphenol
C10H13BrO5 (291.99463080000004)
(2e,8e,10e,12e)-14-[(2z)-5-oxofuran-2-ylidene]tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
4-chloro-1,3,6-trihydroxy-8-methylxanthen-9-one
C14H9ClO5 (292.01384939999997)