Exact Mass: 317.0949266
Exact Mass Matches: 317.0949266
Found 455 metabolites which its exact mass value is equals to given mass value 317.0949266,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Triticonazole
C17H20ClN3O (317.12948200000005)
Nilutamide
Nilutamide is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Nilutamide is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Nilutamide blocks the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration. CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4399; ORIGINAL_PRECURSOR_SCAN_NO 4395 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4426; ORIGINAL_PRECURSOR_SCAN_NO 4421 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4393 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4406; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4403; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4490; ORIGINAL_PRECURSOR_SCAN_NO 4487 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens 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 D000970 - Antineoplastic Agents
Piplartine
Piplartine is a member of cinnamamides and a dicarboximide. Piperlongumine is a natural product found in Zanthoxylum gilletii, Macropiper, and other organisms with data available. See also: Long Pepper (part of). Piplartine is found in herbs and spices. Piplartine is an alkaloid from the roots of Piper longum (long pepper Piperlongumine is a alkaloid[1], possesses ant-inflammatory, antibacterial, antiangiogenic, antioxidant, antitumor, and antidiabetic activities[2]. Piperlongumine induces ROS, and induces apoptosis in cancer cell lines[1]. Piperlongumine shows anti-cardiac fibrosis activity, suppresses myofibroblast transformation via suppression of the ERK1/2 signaling pathway. Piperlongumin could be used in the study of migrasome[2][3]. Piperlongumine is a alkaloid[1], possesses ant-inflammatory, antibacterial, antiangiogenic, antioxidant, antitumor, and antidiabetic activities[2]. Piperlongumine induces ROS, and induces apoptosis in cancer cell lines[1]. Piperlongumine shows anti-cardiac fibrosis activity, suppresses myofibroblast transformation via suppression of the ERK1/2 signaling pathway. Piperlongumin could be used in the study of migrasome[2][3]. Piperlongumine is a alkaloid[1], possesses ant-inflammatory, antibacterial, antiangiogenic, antioxidant, antitumor, and antidiabetic activities[2]. Piperlongumine induces ROS, and induces apoptosis in cancer cell lines[1]. Piperlongumine shows anti-cardiac fibrosis activity, suppresses myofibroblast transformation via suppression of the ERK1/2 signaling pathway. Piperlongumin could be used in the study of migrasome[2][3].
Hemanthidine
Norsanguinarine
Norsanguinarine is a member of phenanthridines. Norsanguinarine is a natural product found in Fumaria indica, Corydalis balansae, and other organisms with data available. Norsanguinarine is found in opium poppy. Norsanguinarine is an alkaloid from Papaver rhoeas (corn poppy D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Lettowianthine
Lettowianthine is found in alcoholic beverages. Lettowianthine is an alkaloid from Annona glabra (pond apple Alkaloid from Annona glabra (pond apple). Lettowianthine is found in alcoholic beverages and fruits.
Petunidin
Petunidin, also known as petunidin chloride (CAS: 1429-30-7), belongs to the class of organic compounds known as 3-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Petunidin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, petunidin has been detected, but not quantified in, several different foods, such as saffrons, french plantains, highbush blueberries, bilberries, and fruits. This could make petunidin a potential biomarker for the consumption of these foods. Petunidin is an anthocyanin. Anthocyanins are water-soluble pigments belonging to the flavonoids compound family that are widespread in nature and involved in numerous functions such as flower, fruit, and seed pigmentation to attract pollinators, seed dispersion, UV light protection, and plant defence against pathogen attack. Because anthocyanins impart much of the colour and flavour of fruits and vegetables, they are usually components of the human diet and are not only considered exclusively as food products but also as therapeutic agents. In fact, anthocyanins have been suggested to protect against oxidative stress, coronary heart diseases, certain cancers, and other age-related diseases. At least part of these presumed health-promoting features can be attributed to the antioxidant properties of these compounds whose chemical structure appears ideal for free radical scavenging (PMID: 16277406). BioTransformer predicts that petunidin is a product of peonidin metabolism via a hydroxylation-of-benzene-ortho-to-edg reaction catalyzed by the CYP1A2, CYP2C9, and CYP3A4 enzymes (PMID: 30612223). Isolated from bilberries (Vaccinium myrtillus), giant granadilla (Passiflora quadrangularis), Amonum subulatum (Nepal cardamon) and other plantsand is also found in red table wine and red wine vinegar. Glycosides also widely distributed
Hydroxyprolyl-Tryptophan
Hydroxyprolyl-Tryptophan is a dipeptide composed of hydroxyproline and tryptophan. 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.
Tryptophylhydroxyproline
Tryptophylhydroxyproline is a dipeptide composed of tryptophan 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.
N-(1-Deoxy-1-fructosyl)histidine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)histidine is classified as a Natural Food Constituent (code WA) in the DFC.
N2-Monodes-methylnizatidine
N2-Monodes-methylnizatidine is a metabolite of nizatidine. Nizatidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It was developed by Eli Lilly and is marketed under the brand names Tazac and Axid. (Wikipedia)
2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate
Puquitinib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Triticonazole
C17H20ClN3O (317.12948200000005)
N-2-Mdmn
1-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone
C13H16ClNO4S (317.04885260000003)
2-{2-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]hydrazono}-2-(methylsulfonyl)acetonitrile
Methyl 2-cyano-3-(2-morpholino-5-nitrophenyl)acrylate
8,13,13b,14-Tetrahydro-14-formylindolo[2,3:3,4]pyrido[2,1-b]quinazoline-5(7H)-one
7-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxyfuro[2,3-b]quinoline
9(10H)-Acridinone, 1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-
N-(3,4,5-Trimethoxy-cinnamoyl)-Delta5-2-oxo-tetrahydro-pyridin; Piperlongumin|N-(3,4,5-Trimethoxy-cinnamoyl)-Delta5-2-oxo-tetrahydro-pyridin; Piplartin; Piperlongumin
9,10-methanediyldioxy-2beta-methoxy-galanth-3(12)-ene-1alpha,4xi-diol|Ungminorin
1, 3, 5-trihydroxy-2, 4-dimethoxy-10-methyl-10H-acridin-9-one|citruscridone
methyl 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]-3-(4-hydroxyphenyl)propanoate
N,1,2,5-Tetra-Ac-beta-D-Furnose-3-Amino-3-deoxyribose
2-(4-oxo-1-beta-D-ribofuranosyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide|2-Thiouridin-5-essigsaeureamid|5-carbamoylmethyl-2-thiouridine
C11H15N3O6S (317.06815300000005)
2,3-Dimethoxy-10-methyl-1,5,6-trihydroxyacridin-9(10H)-one
(R)-N-(2-phenethyl)-2-(1-acetamidoethyl)thiazole-4-carboxamide|(R)-neobacillamide A|2-[(1R)-1-(acetylamino)ethyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide|Neobacillamide A
7-(2-hydroxy-3-methyl-but-3-enyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|Ptelefolidin|Ptelefolidine
6-methoxy-9-methyl-7-(3-methyl-2-oxo-butyl)-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|isoorixinone|Lunidonin|Lunidonine|N-demethyllunidonine
petunidin
Acquisition and generation of the data is financially supported in part by CREST/JST.
1,3,6-trihydroxy-4,5-dimethoxy-10-methylacridin-9-one
Piplartine
Piperlongumine is a alkaloid[1], possesses ant-inflammatory, antibacterial, antiangiogenic, antioxidant, antitumor, and antidiabetic activities[2]. Piperlongumine induces ROS, and induces apoptosis in cancer cell lines[1]. Piperlongumine shows anti-cardiac fibrosis activity, suppresses myofibroblast transformation via suppression of the ERK1/2 signaling pathway. Piperlongumin could be used in the study of migrasome[2][3]. Piperlongumine is a alkaloid[1], possesses ant-inflammatory, antibacterial, antiangiogenic, antioxidant, antitumor, and antidiabetic activities[2]. Piperlongumine induces ROS, and induces apoptosis in cancer cell lines[1]. Piperlongumine shows anti-cardiac fibrosis activity, suppresses myofibroblast transformation via suppression of the ERK1/2 signaling pathway. Piperlongumin could be used in the study of migrasome[2][3]. Piperlongumine is a alkaloid[1], possesses ant-inflammatory, antibacterial, antiangiogenic, antioxidant, antitumor, and antidiabetic activities[2]. Piperlongumine induces ROS, and induces apoptosis in cancer cell lines[1]. Piperlongumine shows anti-cardiac fibrosis activity, suppresses myofibroblast transformation via suppression of the ERK1/2 signaling pathway. Piperlongumin could be used in the study of migrasome[2][3].
Dubinine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
Oxyphenisatin
CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3927; ORIGINAL_PRECURSOR_SCAN_NO 3925 A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3937; ORIGINAL_PRECURSOR_SCAN_NO 3935 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3903; ORIGINAL_PRECURSOR_SCAN_NO 3901 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3930; ORIGINAL_PRECURSOR_SCAN_NO 3928 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3916; ORIGINAL_PRECURSOR_SCAN_NO 3914 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3917; ORIGINAL_PRECURSOR_SCAN_NO 3916 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7947; ORIGINAL_PRECURSOR_SCAN_NO 7945 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7982; ORIGINAL_PRECURSOR_SCAN_NO 7981 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7987; ORIGINAL_PRECURSOR_SCAN_NO 7982 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8022; ORIGINAL_PRECURSOR_SCAN_NO 8020 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8036; ORIGINAL_PRECURSOR_SCAN_NO 8034 CONFIDENCE standard compound; INTERNAL_ID 625; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8042; ORIGINAL_PRECURSOR_SCAN_NO 8039
Ala Gly Gly Asn
Gly Ala Gly Asn
Gly Gly Ala Asn
Gly Gly Asn Ala
Gly Asn Gly Ala
1,2-Benzenediol, 4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-, (3S-trans)-
Asn Gly Gly Ala
Annobraine
petunidin
An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3, 4, 5 and 7 as well as a methoxy substituent at position 5.
5,6-Dihydro-8,9-dimethoxypyrrolo[2,1-a]isoquinoline-2,3-dicarboxylic acid
3-[[2-(5-nitropyridin-2-yl)oxyacetyl]amino]benzoic acid
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
C18H14F3NO (317.10274300000003)
2,3-dihydroxybutanedioic acid,3-[1-hydroxy-2-(methylamino)ethyl]phenol
4-CHLORO-5-METHYL-N-(3-(4-METHYLPIPERAZIN-1-YL)PHENYL)PYRIMIDIN-2-AMINE
D-(-)-p-Hydroxy phenyl glycine methyl potassium
C14H16KNO5 (317.06655059999997)
5-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybenzoic acid
L-HISTIDINE, 3-(PHENYLMETHYL)-, DIHYDROCHLORIDE
C13H17Cl2N3O2 (317.06977620000004)
6-Ethoxy-5-(trifluoromethyl)pyridine-3-boronic acid pinacol ester
C14H19BF3NO3 (317.1410010000001)
Metaraminol bitartrate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Imipenem
C12H19N3O5S (317.10453640000003)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
1-(4-(4-Nitro-3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
C13H14F3N3O3 (317.09872100000007)
2-quinolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
C18H14F3NO (317.10274300000003)
(R)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(2-FLUOROPHENYL)PROPANOIC ACID
C17H16FNO4 (317.10633079999997)
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(2-FLUOROPHENYL)PROPANOIC ACID
C17H16FNO4 (317.10633079999997)
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(3-FLUOROPHENYL)PROPANOIC ACID
C17H16FNO4 (317.10633079999997)
1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine
C11H15N3O6S (317.06815300000005)
2-TERT-BUTYL-6-(5-CHLORO-1,3-DIHYDRO-BENZOTRIAZOL-2-YL)-4-METHYL-PHENOL
C17H20ClN3O (317.12948200000005)
7-METHOXY-2,3-DIHYDRO-BENZOFURAN-3-YLAMINEHYDROCHLORIDE
C18H20ClNO2 (317.11824900000005)
Methyl 4-(4-(Bis(2-Chloroethyl)Amino)Phenyl)Butyrate
3-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol
tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)(THIAZOL-2-YL)METHANOL
C16H20BNO3S (317.1256880000001)
2,5-DIOXOPYRROLIDIN-1-YL 7-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE
2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
C12H17Cl2N3OSi (317.05178920000003)
Phenylephrine tartrate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
2,4-DICHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE
C13H17Cl2N3O2 (317.06977620000004)
2-[(4-Methylphenyl)sulfonyl]-5-isoindolinecarboxylic acid
1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-4-nitro-
C14H11N3O4S (317.04702460000004)
Benzoic acid, 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxy-
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(4-fluorophenyl)-1,5-dihydro-3-hydroxy-, (5R)-
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(3-fluorophenyl)-1,5-dihydro-3-hydroxy-
Phentolamine hydrochloride
C17H20ClN3O (317.12948200000005)
Phentolamine hydrochloride is an orally active adrenergic α receptor-blocking agent[1].
RS 127445
RS-127445 hydrochloride is a selective, high affinity, orally bioavailable 5-HT2B receptor antagonist with a pKi of 9.5. RS-127445 hydrochloride shows 1000 fold selectivity for this receptor as compared to numerous other receptor and ion channel binding sites[1].
ETHYL 2-((4-(BENZYLOXY)-3-FLUOROPHENYL)AMINO)-2-OXOACETATE
C17H16FNO4 (317.10633079999997)
Pridopidine hydrochloride
C78272 - Agent Affecting Nervous System
(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl-2-propenal
tert-butyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
4-(3-METHOXYPROPYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
C13H14F3N3OS (317.08096300000005)
2H-Pyrrol-2-one, 4-acetyl-5-cyclohexyl-1-(2-fluorophenyl)-1,5-dihydro-3-hydroxy-
3-(4-Chlorophenyl)-3-(2-phenylacetamido)propanoic acid
2-(3,5-DIMETHYL-BIPHENYL-3-YLAMINO)-BENZOIC ACID
C21H19NO2 (317.14157140000003)
1,7-DIPHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
C18H11N3O3 (317.08003759999997)
Dabuzalgron
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Dabuzalgron (Ro 115-1240) is an orally active and selective α-1A adrenergic receptor agonist for the treatment of urinary incontinence. Dabuzalgron protects against Doxorubicin-induced cardiotoxicity by preserving mitochondrial function[1].
8-CHLORO-1-(2-FLUORO-6-METHOXYPHENYL)-3H-BENZO[C]AZEPIN-5(4H)-ONE
C17H13ClFNO2 (317.06188000000003)
ethyl 2-piperazine-4-phenyl thiazole-5-carboxylate
(7-amino-2-methylphenoxazin-3-ylidene)-diethylazanium,chloride
C17H20ClN3O (317.12948200000005)
2-chloro-4-(naphthyl-2-yl)-6-phenyl-1,3,5-triazine
2-Chloro-4-(naphthalen-1-yl)-6-phenyl-1,3,5-triazine
Poly [[(S)-1-(4-nitrophenyl)-2-pyrrolidinemethyl]acrylate]
ETHYL 3-((4-ACETAMIDO-3-ETHOXYPHENYL)AMINO)-2-CYANOACRYLATE
N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine dihydrochloride
(S)-7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
C16H16FN3O3 (317.11756379999997)
N-Benzyl-2-methoxy-N-phenylbenzamide
C21H19NO2 (317.14157140000003)
(R)-2-(2,5-difluorophenyl)pyrrolidine (R)-2-hydroxysuccinate
2-PHENYL-3-(4-NITROPHENYL)-5-METHYLTETRAZOLIUM CHLORIDE
2-(4-chlorophenyl)7-methyl-5-oxo-2-phenyl-5H-imidazo1,2-aüpyrimidin-8(5H)-ylüacetic acid
N-Cbz-4-piperidine sulfonyl chloride
C13H16ClNO4S (317.04885260000003)
2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
C14H19BF3NO3 (317.1410010000001)
4,4,5,5-Tetramethyl-2-(2-nitro-5-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane
2,2,2-trifluoro-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]acetamide
C12H15BF3N3O3 (317.11585060000004)
N-(2-HYDROXY-2,2-DIPHENYLETHYL)BENZENECARBOXAMIDE
C21H19NO2 (317.14157140000003)
TERT-BUTYL 2,4-DICHLORO-5,6,8,9-TETRAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE
C13H17Cl2N3O2 (317.06977620000004)
disodium,2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate,hydrate
Iron(III) 2-ethylhexano-isopropoxide, 10 w/v in isopropanol
sodium 1-benzyl-5-phenylbarbiturate
C17H14N2NaO3 (317.09020740000005)
2-QUINOLIN-2-YL-1-(3-TRIFLUROMETHYLPHENYL)ETHANOL
C18H14F3NO (317.10274300000003)
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b]thiazole-3-carboxylate
C14H11N3O4S (317.04702460000004)
6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine,hydrochloride
C16H16ClN3O2 (317.09309859999996)
N-[(3S)-1-Chloro-5-methyl-2-oxohexan-3-yl]-4-methylbenzene-1-sulfonamide
3-Methyl-6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(3-methylphenyl)-1H-3-benzazepine
C18H20ClNO2 (317.11824900000005)
SKF83959 is a potent and selective dopamine D1-like receptor partial agonist. SKF83959 Ki values for rat D1, D5, D2 and D3 receptors are 1.18, 7.56, 920 and 399 nM, respectively. SKF83959 is a potent allosteric modulator of sigma (σ)-1 receptor. SKF83959 belongs to benzazepine family and has improvements on cognitive dysfunction. SKF83959 can be used for the research of Alzheimer's disease and depression[1][2][3][4].
O-Benzoyl-N,N-dibenzylhydroxylamine
C21H19NO2 (317.14157140000003)
N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
C15H12FN3O2S (317.06342240000004)
4-Amino-2-(phenacylthio)-5-pyrimidinecarboxylic acid ethyl ester
1-[(2-Chlorophenyl)methylideneamino]-3-(2-phenylethyl)thiourea
(5Z)-3-ethyl-5-[(2-methyl-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-4-one
5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole
N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
C14H11N3O4S (317.04702460000004)
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
5-Methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-7-hydroxypyrimido(1,6-a)benzimidazol-1(2H)-one
4-Sulfonamide-[4-(thiomethylaminobutane)]benzamide
5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol
(alphaS)-alpha-(Trimethylaminio)-2-[[(R)-2-amino-3-oxo-3-hydroxypropyl]thio]-1H-imidazole-4-propanoic acid anion
C12H21N4O4S+ (317.12834460000005)
1-(6-sulfo-alpha-D-quinovosyl)glycerol
C9H17O10S- (317.05424020000004)
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(methylamino)ethyl]-2-sulfanylidenepyrimidin-4-one
C12H19N3O5S (317.10453640000003)
(4-Methylphenyl)-(10-phenothiazinyl)methanone
C20H15NOS (317.08743000000004)
N-(4-chlorophenyl)-3-(pyrrol-1-ylmethyl)piperidine-1-carboxamide
C17H20ClN3O (317.12948200000005)
1,2-Benzenediol, 4-(((3S,4R)-4-(4-fluorophenyl)-3-piperidinyl)methoxy)-
3,5-Diacetyl-1,4-diphenyl-1,4-dihydropyridine
C21H19NO2 (317.14157140000003)
3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide
3-Methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone
5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
1-[4-[2-Nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
C13H14F3N3O3 (317.09872100000007)
N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carbohydrazide
3-[5-(4-Fluorophenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid
2-(3-Formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
2-[[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-butanol
C15H16ClN5O (317.10433159999997)
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine
C15H16ClN5O (317.10433159999997)
methyl 5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
2-[[2-furanyl(oxo)methyl]hydrazo]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
(2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oate
A steroid acid anion that is the conjugate base of (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. A meta-cleavage metabolite in the estrogen degradation pathway.
4-Chloro-2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]benzoic acid
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol dihydrogen (2R,3R)-2,3-dihydroxybutanedioate
N-(furan-2-ylmethyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
(8E)-8-[(2-fluoroanilino)hydrazinylidene]-1,3-dimethylpurine-2,6-dione
5-(2-Chlorophenyl)-7-(dihydroxyamino)-1,3-dihydro-1,4-benzodiazepin-2-one
N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
(1S)-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-21-carbaldehyde
N-(3-chloro-4-methylphenyl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide
2-Butoxy-4-quinolinecarboxylic acid trimethylsilyl ester
nilutamide
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens 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 D000970 - Antineoplastic Agents
(3S,4aS,11bS,12R)-3-methoxy-4,4a-dihydro-3H,6H-11b,5-ethano[1,3]dioxolo[4,5-j]phenanthridine-6,12-diol
Oxyphenisatine
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics
LY456236
C16H16ClN3O2 (317.09309859999996)
LY456236 is a selective, non-competitive and orally active mGlu1 receptor antagonist that inhibits phosphoinositide hydrolysis with an IC50 of 0.145 μM. LY456236 also inhibits EGFR with an IC50 of 0.91 μM[1][3].
9-hydroxy-7-methoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
2-hydroxy-2-{4-methoxy-2h,3h-furo[2,3-b]quinolin-2-yl}propyl acetate
(3s,4s)-4-(acetyloxy)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-3-yl acetate
8-(1h-indol-3-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
(1s,11s,13s,15r,18s)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-11,18-diol
(2r)-1-{6,8-dimethoxy-2h-[1,3]dioxolo[4,5-h]quinolin-7-yl}-3-methylbut-3-en-2-ol
(1s,11r,13r,15s,18s)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-11,18-diol
(4ar,7s)-6,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4a,7-dihydro-1λ⁴-chromen-1-ylium
14-fomyldihydroxyrutaecarpine
{"Ingredient_id": "HBIN001457","Ingredient_name": "14-fomyldihydroxyrutaecarpine","Alias": "NA","Ingredient_formula": "C19H15N3O2","Ingredient_Smile": "C1CN2C(C3=C1C4=CC=CC=C4N3)N(C5=CC=CC=C5C2=O)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30970","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxycrinamine
{"Ingredient_id": "HBIN012426","Ingredient_name": "6-hydroxycrinamine","Alias": "NA","Ingredient_formula": "C17H19NO5","Ingredient_Smile": "COC1CC2C3(C=C1)C(CN2C(C4=CC5=C(C=C34)OCO5)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9945","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8(z)-n-(12,13,14-trimethoxycinnamoyl)-Δ3-pyridin-2-one
{"Ingredient_id": "HBIN013911","Ingredient_name": "8(z)-n-(12,13,14-trimethoxycinnamoyl)-\u03943-pyridin-2-one","Alias": "NA","Ingredient_formula": "C17H19NO5","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21888","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acalyphine
{"Ingredient_id": "HBIN014320","Ingredient_name": "acalyphine","Alias": "NA","Ingredient_formula": "C13H19NO8","Ingredient_Smile": "CN1C=C(C(=CC1=O)OC)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23592","TCMSP_id": "NA","TCM_ID_id": "7249","PubChem_id": "NA","DrugBank_id": "NA"}
atalafoline b
{"Ingredient_id": "HBIN017264","Ingredient_name": "atalafoline b","Alias": "NA","Ingredient_formula": "C16H15NO6","Ingredient_Smile": "CN1C2=C(C=CC(=C2O)OC)C(=O)C3=C1C(=C(C=C3O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1954","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2(10),3,8,16-tetraene-11,15-diol
(8r)-16,18-dioxa-4-azahexacyclo[11.7.0.0²,⁹.0⁴,⁸.0⁸,¹².0¹⁵,¹⁹]icosa-1(20),13,15(19)-triene-2,10,11-triol
2-{[hydroxy(2-hydroxy-4-methoxyphenyl)methylidene]amino}-4-methoxybenzoic acid
18-hydroxy-5,9,9-trimethyl-4,8,17-triazapentacyclo[10.6.1.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]nonadeca-1,3,5,10,12,14,16(19),17-octaen-7-one
1-{6,8-dimethoxy-2h-[1,3]dioxolo[4,5-h]quinolin-7-yl}-3-methylbut-3-en-2-ol
15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraene-11,18-diol
(4s,5s)-1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one
C14H17Cl2NO3 (317.05854320000003)
3,5-dioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione
(2s)-2-hydroxy-2-[(2r)-4-methoxy-2h,3h-furo[2,3-b]quinolin-2-yl]propyl acetate
1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one
C14H17Cl2NO3 (317.05854320000003)