Exact Mass: 268.1387
Exact Mass Matches: 268.1387
Found 500 metabolites which its exact mass value is equals to given mass value 268.1387
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diethylstilbestrol
Diethylstilbestrol is a synthetic estrogen that was developed to supplement a womans natural estrogen production. In 1971, the Food and Drug Administration (FDA) issued a Drug Bulletin advising physicians to stop prescribing DES to pregnant women because it was linked to a rare vaginal cancer in female offspring. Diethylstilbesterol is found in gram bean. Diethylstilbestrol is a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Michlers ketone
INTERNAL_ID 250; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9500; ORIGINAL_PRECURSOR_SCAN_NO 9498 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9532 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9547; ORIGINAL_PRECURSOR_SCAN_NO 9546 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 2291 CONFIDENCE standard compound; INTERNAL_ID 8123 CONFIDENCE standard compound; INTERNAL_ID 4144
Pentostatin
Pentostatin is only found in individuals that have used or taken this drug. It is a potent inhibitor of adenosine deaminase. The drug is effective in the treatment of many lymphoproliferative malignancies, particularly hairy-cell leukemia. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity. [PubChem]Pentostatin is a potent transition state inhibitor of adenosine deaminase (ADA), the greatest activity of which is found in cells of the lymphoid system. T-cells have higher ADA activity than B-cells, and T-cell malignancies have higher activity than B-cell malignancies. The cytotoxicity that results from prevention of catabolism of adenosine or deoxyadenosine is thought to be due to elevated intracellular levels of dATP, which can block DNA synthesis through inhibition of ribonucleotide reductase. Intracellular activation results in incorporation into DNA as a false purine base. An additional cytotoxic effect is related to its incorporation into RNA. Cytotoxicity is cell cycle phase-specific (S-phase). D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D058892 - Adenosine Deaminase Inhibitors C471 - Enzyme Inhibitor > C2157 - Adenosine Deaminase Inhibitor
Histidylleucine
Histidylleucine is a dipeptide composed of histidine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Lysergic acid
An ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position.
4-METHYL-2,4-BIS(4-HYDROXYPHENYL)PENT-1-ENE
Nbbcc
N-Butyl-beta-carboline-3-carboxylate is a member of beta-carbolines.
3-Methylcholanthrene
Razoxane
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D050258 - Mitosis Modulators
N-acetylcarnosine
N-Acetylcarnosine (NAC) is a naturally-occurring compound chemically related to the dipeptide carnosine. Its molecular structure is similar to carnosine with the exception that it carries an additional acetyl group. This makes NAC a more stable molecule which is not easily destroyed by carnosinase, an enzyme that breaks down carnosine to its constituent amino acids, beta-alanine and histidine.; NAC is a free-radical scavenger and is particularly active against lipid peroxidation in the different parts of the lens in the eye. It is the active ingredient of eye drops used in order to prevent or treat cataract. [HMDB] N-Acetylcarnosine (NAC) is a naturally-occurring compound chemically related to the dipeptide carnosine. Its molecular structure is similar to carnosine with the exception that it carries an additional acetyl group. This makes NAC a more stable molecule which is not easily destroyed by carnosinase, an enzyme that breaks down carnosine to its constituent amino acids, beta-alanine and histidine. NAC is a free-radical scavenger and is particularly active against lipid peroxidation in the different parts of the lens in the eye. It is the active ingredient of eye drops used in order to prevent or treat cataract. N-Acetylcarnosine, a natural histidine-containing dipeptide, is a source of pharmacological principal L-carnosine. N-Acetylcarnosine is a potent ophthalmic agent in human cataracts[1].
Kamahine C
Kamahine A is a constituent of honey from Weinmannia racemosa. Found in honey from Kamali (Weinmannia racemosa)
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid is a urofuranic acid. Urofuranic acids are usually derived from furanoic acids, and have two carboxyl groups at the 3- and 4-positions of the furan ring.
Dexrazoxane
An antimitotic agent with immunosuppressive properties. Dexrazoxane, the (+)-enantiomorph of razoxane, provides cardioprotection against anthracycline toxicity. It appears to inhibit formation of a toxic iron-anthracycline complex. [PubChem]. The Food and Drug Administration has designated dexrazoxane as an orphan drug for use in the prevention or reduction in the incidence and severity of anthracycline-induced cardiomyopathy. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents D050258 - Mitosis Modulators D004791 - Enzyme Inhibitors
Isoleucyl-Histidine
Isoleucyl-Histidine is a dipeptide composed of isoleucine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylisoleucine
Histidylisoleucine is a dipeptide composed of histidine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Hydroxyprolyl-Histidine
Hydroxyprolyl-Histidine is a dipeptide composed of hydroxyproline and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylhydroxyproline
Histidinylhydroxyproline is a dipeptide composed of histidine and hydroxyproline. 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.
Leucyl-Histidine
Leucyl-Histidine is a dipeptide composed of leucine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hesperaline
Hesperaline is found in brassicas. Hesperaline is an alkaloid from seeds of damask violet (Hesperis matronalis Cruciferae
(+)-Lysergic acid
3-(1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enoic acid
Estra-1,3,5,7,9-pentaene-3,17beta-diol
(8R)-3-[(4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins D004791 - Enzyme Inhibitors > D058892 - Adenosine Deaminase Inhibitors
4-Bis(2-hydroxyethyl)amino-L-phenylalanine
Cimetidine sulfoxide
Cimetidine sulfoxide (Cimetidine sulphoxide) is a sulfoxide metabolite of Cimetidine. Cimetidine is a histamine H2-receptor antagonist. Cimetidine has the potential for peptic ulcer disease and upper gastrointestinal haemorrhage treatment[1].
Hydroxymethyl cimetidine
N-Acetylcarnosine
Nafazatrom
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents
1-Methyl-1,2-dihydrobenzo[j]aceanthrylene
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
Estrogen
A steroid hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. (ChEBI). Estrogen is found in date and apricot. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Papyracon B
Papyracon C
Ramacemide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System D020011 - Protective Agents
2-Methyl-6-methoxy-4-phenyl-2,3-dihydro-3,3-dimethylbenzofuran
8a-hydroxy-7-methoxy-3,3,6,8,8-pentamethyl-1,2-benzodioxin-5-one
Salviolone
Salviolone is a natural product found in Salvia miltiorrhiza and Salvia paramiltiorrhiza with data available.
butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
(+-)-(2Xi,3aXi)-2-Methoxy-(3ar,7at)-hexahydro-spiro[cyclopropan-1,2-indan]-2r,3c-dicarbonsaeure|(+-)-(2Xi,3aXi)-2-methoxy-(3ar,7at)-hexahydro-spiro[cyclopropane-1,2-indan]-2r,3c-dicarboxylic acid
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
(1S,2Z,4S)-1-butyl-4-hydroxy-4-[(2S)-5-oxo-2,5-dihydrofuran-2-yl]but-2-en-1-yl acetate|5S-[(4S-acetyloxy)-(1S-hydroxy)-2Z-octenyl]-2(5H)-furanone|pectinolide H
2,2-Dimethyl-4-(hydroxymethyl)-5-(2-chloroethyl)-6-(hydroxymethyl)indan
3-hydroxy-5-methoxy-2,4-dimethyl-4-(2-methylbutyryloxy)-2,5-cyclohexadien-1-one
1b-Ethyl-1a,1b,3,4,8c,9,10,10a-octahydro-2H-oxireno(4,5-b(pyrido(3,2-c(carbazole
4-acetyl-2-[(1E)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|huaspenone B
5-(5-carboxymethyl-2-oxocyclopentyl)-3-pentenyl acetate
1alpha-chloro-2beta-hydroxyeremophil-7(11),9-dien-8-one
6-methyl-8,9-didehydro-ergoline-8-carboxylic acid|6-Methyl-Delta8,9-ergolen-8-carbonsaeure|Delta8,9-Lysergsaeure|Lysergsaeure
(3Z,9Z)-7-chloro-6-hydroxy-12-oxo-pentadeca-3,9-dien-1-yne
3-hydroxy-5-methoxy-2,6-dimethyl-6-(2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3-hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Acetic acid 3-(3,4,5-trimethoxyphenyl)propyl ester
Heudelotine
Heudelotine is a natural product found in Jatropha curcas and Ricinodendron heudelotii with data available.
Diethylstilbestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens CONFIDENCE standard compound; INTERNAL_ID 4237 CONFIDENCE standard compound; INTERNAL_ID 4161
NPE_269.1647_12.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1105
1,3-diethyldiphenylurea
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1062
N-Acetylcarnosine
A dipeptide that is the N-acetyl derivative of carnosine. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; BKAYIFDRRZZKNF-VIFPVBQESA-N_STSL_0185_N-acetyl-L-carnosine_0500fmol_180425_S2_LC02_MS02_25; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
PENTOSTATIN
A member of the class of coformycins that is coformycin in which the hydroxy group at position 2 is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia. D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D004791 - Enzyme Inhibitors > D058892 - Adenosine Deaminase Inhibitors C471 - Enzyme Inhibitor > C2157 - Adenosine Deaminase Inhibitor
3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]
3,6-diphenylcyclohexane-1,2-diol [IIN-based: Match]
2-(Cyclohexylmethylsulfamoyl)aniline
CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9150; ORIGINAL_PRECURSOR_SCAN_NO 9149 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9156; ORIGINAL_PRECURSOR_SCAN_NO 9152 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9179; ORIGINAL_PRECURSOR_SCAN_NO 9178 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9206; ORIGINAL_PRECURSOR_SCAN_NO 9204 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9228; ORIGINAL_PRECURSOR_SCAN_NO 9225 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9193; ORIGINAL_PRECURSOR_SCAN_NO 9192
Dexrazoxane
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
His-leu
A dipeptide formed from L-histidine and L-leucine residues.
Ile-his
A dipeptide composed of L-isoleucine and L-histidine joined by a peptide linkage.
Leu-his
A dipeptide formed from L-leucine and L-histidine residues.
Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester
TRANS-2,3-DIFLUORO-1-METHOXY-4-(4-PROPYL-CYCLOHEXYL)-BENZENE
1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
tert-Butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine methyl ester
4-(TERT-BUTYL)-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
Deanol acetamidobenzoate
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
(1S,2S)-(-)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
N-ETHYL-N-METHYL-3-(PYRROLIDIN-3-YL)BENZAMIDE HYDROCHLORIDE
ethyl 2-amino-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylate
4-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
5-(Hexamethyleneimin-1-yl)-2-methylsulfonylaniline
3-(3-Methylpiperidin-1-yl)-4-methylsulfonylaniline
tert-butyl N-[(5,6-dimethoxypyridin-2-yl)methyl]carbamate
4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester
7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxylic acid
tert-butyl 1,3-dioxo-2,7-diazaspiro[4.5]decane-7-carboxylate
[2-(4-fluoro-phenyl)-2-hydroxyimino-ethyl]-carbamic acid tert-butyl ester
2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxylic acid
1-[4-(3-METHYL-4-ISOPROPYL-PHENOXY)-PHENYL]-ETHANONE
2-CHLORO-N-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)ACETAMIDE HYDROCHLORIDE
Benzoic acid,4-methyl-, 2-(4-methylbenzoyl)hydrazide
2-amino-6-isopropyl-4,5,6,7-tetrahydro-thieno-[2,3-c]pyridine-3-carboxylic acid ethyl ester
4-(4-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
diethyl 1-amino-3-isopropyl-1H-pyrrole-2,4-dicarboxylate
3,4,4-trimethyl-1-(4-methylphenyl)sulfonylimidazolidine
2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(19),15,17-triene
tert-Butyl 3-(thien-2-yl)piperazine-1-carboxylate, 1-(tert-Butoxycarbonyl)-3-(thien-2-yl)piperazine
2-(4-ETHOXY-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
ethyl prop-2-enoate,N-(hydroxymethyl)-2-methylprop-2-enamide,prop-2-enenitrile
7-(4-METHOXYPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
7-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE-3-CARBOXYLIC ACID
4-[(4-ethoxyphenyl)iminomethyl]-N,N-dimethylaniline
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
N-Ethyl-N-methyl-3-(3-pyrrolidinyl)benzamide hydrochloride (1:1)
tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
4,4,5,5-Tetramethyl-2-(naphthalen-1-ylmethyl)-1,3,2-dioxaborolane
4,4,5,5-Tetramethyl-2-(naphthalen-2-ylmethyl)-1,3,2-dioxaborolane
ethyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
(1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile
4-[(2S)-2-Methylbutyl]-[1,1-biphenyl]-4-carboxylic acid
4-METHYL-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE
1-METHYL-3,4-DIHYDROSPIRO[CHROMENE-2,4-PIPERIDIN]-4-AMINE HYDROCHLORIDE
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)-rel-
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
4-[(3-Methylphenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Benzeneboronic acid, cyclic ((p-tolyloxy)methyl)ethylene ester
5,5,6,6-Tetramethyl-5,6-dihydrodibenzo[c,e][1,2]disiline
Benzeneacetic acid, 3,4-dimethoxy-, trimethylsilyl ester
Methyl (3-methoxyphenyl)[(trimethylsilyl)oxy]acetate
Acetic acid, [3-methoxy-4-(trimethylsiloxy)phenyl]-, methyl ester
Benzeneacetic acid, 4-methoxy-alpha-[(trimethylsilyl)oxy]-, methyl ester
Methyl (2-methoxyphenyl)[(trimethylsilyl)oxy]acetate
2-Amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]acetamide
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
(2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
(2Z)-2-cyano-3-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)acrylic acid
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
Acetylcarnosine
N-Acetylcarnosine, a natural histidine-containing dipeptide, is a source of pharmacological principal L-carnosine. N-Acetylcarnosine is a potent ophthalmic agent in human cataracts[1].
Dihydroxy Melphatalan-d8
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
N-butylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a butyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
N-(1,8-dimethyl-3-pyrazolo[3,4-b]quinolinyl)propanamide
N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methylidene]methanimidamide
2,2-dimethyl-N-pyridin-4-yl-3H-benzofuran-7-carboxamide
2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide
4,6-dimethyl-N-[(E)-1-phenylethylideneamino]pyrimidine-2-carboxamide
5-[[2-Furanylmethyl(methyl)amino]methyl]-8-quinolinol
(2,6-Dimethylmorpholin-4-yl)-(1-methyl-5-nitropyrazol-4-yl)methanone
N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3,5-Dimethoxyphenylacetic acid, trimethylsilyl ester
2,3-Dimethoxyphenylacetic acid, trimethylsilyl ester
4,4,5,5-Tetracyano-1-trimethylsilylmethylcyclohexene
2,5-Dimethoxyphenylacetic acid trimethylsilyl ester
(R)-2-Methylbutyric acid (S)-1,5-dimethyl-2-oxo-4-methoxy-6-hydroxy-3,5-cyclohexadienyl ester
His-Leu zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Leu. Major species at pH 7.3.
2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid
Cimetidine sulfoxide
Cimetidine sulfoxide (Cimetidine sulphoxide) is a sulfoxide metabolite of Cimetidine. Cimetidine is a histamine H2-receptor antagonist. Cimetidine has the potential for peptic ulcer disease and upper gastrointestinal haemorrhage treatment[1].
3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
DMeOB
DMeOB is an agonist of mGluR5 receptor with an IC50 of 3 μM. DMeOB has a negative modulatory effect[1].
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)
Belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
Belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.
8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione
(5ar,11ar)-5a,11a-dimethyl-6,12-dihydro-5,11-dioxa-6,12-diazatetracene
(8s)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4h,7h,8h-imidazo[4,5-d][1,3]diazepin-8-ol
(2s,3s)-2-[(1z,3s)-3-hydroxyhept-1-en-1-yl]-6-oxo-2,3-dihydropyran-3-yl acetate
(1s,2s,3r)-3-acetyl-2-(4-carboxy-4-methylbut-3-en-1-yl)-2-methylcyclobutane-1-carboxylic acid
10-hydroxy-4,4,8-trimethyl-1h,2h,3h-cyclohepta[a]naphthalen-9-one
{4-[(2r)-1,2-dihydroxypropan-2-yl]-3-hydroxyphenyl}methyl 2-methylpropanoate
2-{[(2s)-2-(pyridin-3-yl)piperidin-1-yl]methyl}phenol
(3r,4as,6r)-6,8-dihydroxy-3-(4-oxopentyl)-3,4,4a,5,6,7-hexahydro-2-benzopyran-1-one
(2s)-4-acetyl-2-[(1e,5s)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3-one
4-[4-(4-hydroxyphenyl)-2,3-dimethylbut-1-en-1-yl]phenol
(2z,5e)-5-(1h-indol-3-ylmethylidene)-1,3-dimethyl-2-(methylimino)imidazolidin-4-one
(11s)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1,3(8),4,6,14-pentaen-9-one
(2s,7r)-11-methoxy-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaene
methyl 2-hydroxy-3-[4-hydroxy-2,5-bis(prop-1-en-1-yl)oxolan-3-ylidene]propanoate
methyl (2r)-2-hydroxy-3-[(2r,3e,4s,5s)-4-hydroxy-2,5-bis[(1e)-prop-1-en-1-yl]oxolan-3-ylidene]propanoate
4-[2-(4-hydroxy-2-methyl-5-oxooxolan-2-yl)ethyl]-3-propyl-5h-furan-2-one
(4ar,5s,7r,8r)-8-chloro-7-hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-5,6,7,8-tetrahydro-4h-naphthalen-2-one
1-deoxy-l-erythritol 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN002485","Ingredient_name": "1-deoxy-l-erythritol 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C10H20O8","Ingredient_Smile": "CC(C(CO)OC1C(C(C(C(O1)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,8-dihydroxy-isobutyryl-thymol
{"Ingredient_id": "HBIN012986","Ingredient_name": "7,8-dihydroxy-isobutyryl-thymol","Alias": "NA","Ingredient_formula": "C14H20O5","Ingredient_Smile": "CC(C)C(=O)OCC(C)(C1=C(C=C(C=C1)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5920","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-carboline-1-carboxylic acid; butyl ester
{"Ingredient_id": "HBIN018003","Ingredient_name": "beta-carboline-1-carboxylic acid; butyl ester","Alias": "NA","Ingredient_formula": "C16H16N2O2","Ingredient_Smile": "NA","Ingredient_weight": "268.31","OB_score": "NA","CAS_id": "153535-98-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "17","PubChem_id": "NA","DrugBank_id": "NA"}