Exact Mass: 460.1039
Exact Mass Matches: 460.1039
Found 424 metabolites which its exact mass value is equals to given mass value 460.1039,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxytetracycline
Oxytetracycline is a tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions. [PubChem]Oxytetracycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Oxytetracycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. Oxytetracycline is a clinically used broad-spectrum antibacterial antibiotic. It is approved by FDA for use in fish and animal feeds. Oxytetracycline is known as a broad-spectrum antibiotic due to its activity against such a wide range of infections. It was the second of the tetracyclines to be discovered. Oxytetracycline, like other tetracyclines, is used to treat many infections common and rare. Its better absorption profile makes it preferable to tetracycline for moderately severe acne, but alternatives sould be sought if no improvement occurs by 3 months G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines Clinically used broad-spectrum antibacterial antibiotic. Approved by FDA for use in fish and animal feeds S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Oxytetracycline is an antibiotic belonging to the tetracycline class. Oxytetracycline potent inhibits Gram-negative and Gram-positive bacteria. Oxytetracycline is a protein synthesis inhibitor and prevents the binding from aminoacil-tRNA to the complex m-ribosomal RNA. Oxytetracycline also possesses anti-HSV-1 activity[1][2][3].
Flupoxam
Pre- and post emergence herbicide for broad-leaved weed control in winter cereals. Pre- and post emergence herbicide for broad-leaved weed control in winter cereals
11a-Hydroxytetracycline
A member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.
Apremilast, (+/-)-
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Irilone 4'-glucoside
Irilone 4-glucoside is found in herbs and spices. Irilone 4-glucoside is isolated from the roots of Trifolium pratense (red clover). Isolated from the roots of Trifolium pratense (red clover). Irilone 4-glucoside is found in tea and herbs and spices.
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[(6-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy]oxane-2-carboxylic acid
6'-Acetylliquiritin
6-Acetylliquiritin is found in herbs and spices. 6-Acetylliquiritin is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). 6-Acetylliquiritin is found in herbs and spices.
5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside
5,7-Dihydroxy-2,6-dimethoxyisoflavone 7-rhamnoside is found in pulses. 5,7-Dihydroxy-2,6-dimethoxyisoflavone 7-rhamnoside is a constituent of the roots of Sesbania grandiflora (agati). Constituent of the roots of Sesbania grandiflora (agati). 5,7-Dihydroxy-2,6-dimethoxyisoflavone 7-rhamnoside is found in pulses.
Glycitein 4'-O-glucuronide
Glycitein 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Glycitein 7-O-glucuronide
Glycitein 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
N-Desmethyl vandetanib
N-Desmethyl vandetanib is a metabolite of vandetanib. Vandetanib (rINN, trade name Caprelsa), also known as ZD6474, is an antagonist of the vascular endothelial growth factor receptor (VEGFR) and the epidermal growth factor receptor (EGFR). It is a tyrosine kinase inhibitor, being developed by AstraZeneca. It has a third target: inhibiting RET-tyrosine kinase activity, an important growth driver in certain types of thyroid cancer (Wikipedia)
Biochanin a 7-glucuronide
Oroxylin A glucoronide
5-Carboxyfluorescein diacetate
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
6-Carboxyfluorescein diacetate
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
Apremilast
Dexloxiglumide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Loxiglumide is a cholecystokinin (CCK-1) receptor antagonist.
Oxyterracin
Ponesimod
3',6'-Diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4-carboxylic acid
Tert-butyl 4-[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylate
Tecarfarin
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Wogonoside
ParishinE
Parishin E is a natural product found in Gastrodia elata with data available. Parishin E, a parishin derivative isolated from Gastrodia elata, may have antioxidant property[1]. Parishin E, a parishin derivative isolated from Gastrodia elata, may have antioxidant property[1].
oroxyloside
Oroxylin A 7-O-beta-D-glucuronide is the glycosyloxyflavone which is the 7-O-glucuronide of oroxylin A. It has a role as a plant metabolite. It is a glycosyloxyflavone, a monomethoxyflavone, a monohydroxyflavone, a monosaccharide derivative and a beta-D-glucosiduronic acid. It is functionally related to an oroxylin A. It is a conjugate acid of an oroxylin A 7-O-beta-D-glucuronate. Oroxylin A glucoronide is a natural product found in Scutellaria racemosa, Scutellaria squarrosa, and other organisms with data available. Oroxylin A-7-O-glucuronide (Oroxyloside; Oroxylin A-7-O-β-D-glucuronide) is a flavonoid glucuronide isolated from the dried root of Scutellaria baicalensis, with prolyl oligopeptidase (POP) inhibitory activity[1]. Oroxylin A-7-O-glucuronide (Oroxyloside; Oroxylin A-7-O-β-D-glucuronide) is a flavonoid glucuronide isolated from the dried root of Scutellaria baicalensis, with prolyl oligopeptidase (POP) inhibitory activity[1].
Baicalin methyl ester
Baicalin methyl ester is a constituent of the roots of S. baicalmsis[1].
Oroxylin
Oroxylin A 7-O-beta-D-glucuronide is the glycosyloxyflavone which is the 7-O-glucuronide of oroxylin A. It has a role as a plant metabolite. It is a glycosyloxyflavone, a monomethoxyflavone, a monohydroxyflavone, a monosaccharide derivative and a beta-D-glucosiduronic acid. It is functionally related to an oroxylin A. It is a conjugate acid of an oroxylin A 7-O-beta-D-glucuronate. Oroxylin A glucoronide is a natural product found in Scutellaria racemosa, Scutellaria squarrosa, and other organisms with data available. Oroxylin A-7-O-glucuronide (Oroxyloside; Oroxylin A-7-O-β-D-glucuronide) is a flavonoid glucuronide isolated from the dried root of Scutellaria baicalensis, with prolyl oligopeptidase (POP) inhibitory activity[1]. Oroxylin A-7-O-glucuronide (Oroxyloside; Oroxylin A-7-O-β-D-glucuronide) is a flavonoid glucuronide isolated from the dried root of Scutellaria baicalensis, with prolyl oligopeptidase (POP) inhibitory activity[1].
Oroxindin
Wogonin 7-O-beta-D-glucuronide is the glycosyloxyflavone which is the 7-O-glucuronide of wogonin. It is a glycosyloxyflavone, a monomethoxyflavone, a monohydroxyflavone, a monosaccharide derivative and a beta-D-glucosiduronic acid. It is functionally related to a wogonin. It is a conjugate acid of a wogonin 7-O-beta-D-glucuronate. Oroxindin is a natural product found in Scutellaria discolor, Scutellaria indica, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). The glycosyloxyflavone which is the 7-O-glucuronide of wogonin. Wogonoside, a flavonoid glycoside isolated from Huangqin, possesses anti-inflammatory effects. Wogonoside induces autophagy in breast cancer cells by regulating MAPK-mTOR pathway[1][2]. Wogonoside, a flavonoid glycoside isolated from Huangqin, possesses anti-inflammatory effects. Wogonoside induces autophagy in breast cancer cells by regulating MAPK-mTOR pathway[1][2].
Parishin
Parishin E is a natural product found in Gastrodia elata with data available. Parishin E, a parishin derivative isolated from Gastrodia elata, may have antioxidant property[1]. Parishin E, a parishin derivative isolated from Gastrodia elata, may have antioxidant property[1].
Wogonoside
Wogonoside, a flavonoid glycoside isolated from Huangqin, possesses anti-inflammatory effects. Wogonoside induces autophagy in breast cancer cells by regulating MAPK-mTOR pathway[1][2]. Wogonoside, a flavonoid glycoside isolated from Huangqin, possesses anti-inflammatory effects. Wogonoside induces autophagy in breast cancer cells by regulating MAPK-mTOR pathway[1][2].
Apigenin 7-O-beta-D-glucuronopyranoside methyl ester
BE-24566B
An organic heterohexacyclic compound that is 6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one substituted by hydroxy groups at positions 3, 11, 13 and 15, methyl groups at positions 1 and 4 and geminal methyl groups at position 9 respectively. It is isolated from the fermentation broth of Streptomyces violaceusniger and exhibits moderate antibacterial activity.
8-Hydroxy-4,7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Isoembigenin
5-Hydroxy-7,4-dimethoxy-4-phenylcoumarin 5-O-galactoside
oroxylin A-7-O-glucuronide
Oroxylin A-7-O-glucuronide (Oroxyloside; Oroxylin A-7-O-β-D-glucuronide) is a flavonoid glucuronide isolated from the dried root of Scutellaria baicalensis, with prolyl oligopeptidase (POP) inhibitory activity[1]. Oroxylin A-7-O-glucuronide (Oroxyloside; Oroxylin A-7-O-β-D-glucuronide) is a flavonoid glucuronide isolated from the dried root of Scutellaria baicalensis, with prolyl oligopeptidase (POP) inhibitory activity[1].
Wistin
Wistin is an isoflavonoid and an acrovestone. Wistin is a natural product found in Ammopiptanthus mongolicus, Baptisia australis, and other organisms with data available.
(R)-4,4-dihydroxy-3-(4-dihydroxyphenyl)spiro{2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1,(16),3,5,7(19),14,17-hexaene-12,2(5H)-furan}-11,5-dione|(R)-4,4-dihydroxy-3-(4-hydroxyphenyl)spiro{2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaene-12,2(5H)-furan}-11,5-dione|retipolide E
1,3-Di-Me ether,6-O-beta-D-Glucopyranoside-1,3,6-Trihydroxy-7-methylanthraquinone
5-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzofuran-3-carboxylic acid (2S,3R,4S,5S,6R)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl ester|beta-D-glucopyranosyl 5-hydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzofuran-2-carboxylate|tyrolobibenzyl B
2,4,6-trihydroxyacetophenone 3-C-beta-(2-O-E-cinnamoyl)glucopyranoside|2,4,6-trihydroxyacetophenone 3-C-beta-D-(2-O-(E)-cinnamoyl)glucopyranoside|2,4,6-Trihydroxyacetophenone 3-C-??-(2-O-E-cinnamoyl)-glucopyranoside
1-O-(2-methoxy-4-carboxylphenyl)-6-O-(E-cinnamoyl)-beta-D-glucopyranoside|scrophuloside D
5,4-dihydroxy-6,7-dimethoxy-flavone-8-C-alpha-L-rhamnoside
3,4,5,6,7,8-Hexa-Me ether,Ac-3,3,4,5,6,7,8-Heptahydroxyflavone
3-O-beta-D-glucopyranosyl-3-hydroxy-6,8-dimethoxy-2-methylanthraquinone
4,5,7,8-tetrahydroxyflavone 8-O-beta-D-glucopyranosiduronic acid methyl ester
3,3,4,5,6,7-Hexa-Me ether,Ac-3,3,4,5,5,6,7-Heptahydroxyflavone
7,3,4-trihydroxy-5-O-beta-D-(2-O-acetyl)xylopyranosyl-isoflavone
3,3-Dimethyl-6-hydroxy-9beta-(1-methylethenyl)-11-methoxy-9a,13a-epoxy-3H,7H-4,14-dioxadibenz[a,j]anthracene-7,10,13-trione
6-(beta-D-glucopyranosyloxy)-4,7-dimethoxyisoflavone|6-(beta-D-glucopyranosyloxy)-7-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|caragiside A
Oxytetracycline
A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic relative retention time with respect to 9-anthracene Carboxylic Acid is 0.486 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.490 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3610 EAWAG_UCHEM_ID 3610; CONFIDENCE standard compound Oxytetracycline is an antibiotic belonging to the tetracycline class. Oxytetracycline potent inhibits Gram-negative and Gram-positive bacteria. Oxytetracycline is a protein synthesis inhibitor and prevents the binding from aminoacil-tRNA to the complex m-ribosomal RNA. Oxytetracycline also possesses anti-HSV-1 activity[1][2][3].
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Cys Asp His Ser
Cys Asp Ser His
Cys His Asp Ser
Cys His Ser Asp
Cys Ser Asp His
Cys Ser His Asp
Asp Cys His Ser
Asp Cys Ser His
Asp Asp Asp Pro
Asp Asp Pro Asp
Asp His Cys Ser
Asp His Ser Cys
Asp Pro Asp Asp
Asp Ser Cys His
Asp Ser His Cys
His Cys Asp Ser
His Cys Ser Asp
His Asp Cys Ser
His Asp Ser Cys
His Ser Cys Asp
His Ser Asp Cys
Pro Asp Asp Asp
Ser Cys Asp His
Ser Cys His Asp
Ser Asp Cys His
Ser Asp His Cys
Ser His Cys Asp
Ser His Asp Cys
Irilone 4'-glucoside
5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside
6''-Acetylliquiritin
Glycitein 4'-O-glucuronide
Glycitein 7-O-glucuronide
(5-Methyl-3-phenyl-1,2-oxazol-4-yl){4-[2-nitro-4-(trifluoromethyl )phenyl]-1-piperazinyl}methanone
6-Chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]tryptoph
PDK1 inhibitor AR-12
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Apremilast
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Levocetirizine dihydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Levocetirizine dihydrochloride ((R)-Cetirizine dihydrochloride) is a third-generation peripheral H1-receptor antagonist. Levocetirizine dihydrochloride is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine dihydrochloride has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
1,3,5-tri-O-benzoyl-2-oxo-α-D-erythro-pentofuranose
Dexloxiglumide
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Dexloxiglumide is a selective cholecystokinin type A (CCKA) receptor antagonist[1]. Dexloxiglumide, the active enantiomer of Loxiglumide, inhibits smooth muscle cell contractions induced by cholecystokinin-octapeptide (CCK-8)[2].
Losartan potassium
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents B - Blood and blood forming organs > B03 - Antianemic preparations Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Losartan potassium (DuP-753 potassium) is an angiotensin II receptor type 1 (AT1) antagonist, competing with the binding of angiotensin II to AT1 with an IC50 of 20 nM.
4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Cetirizine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Cetirizine dihydrochloride, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine dihydrochloride marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3].
4-Nitrophenyl2-acetamido-2-deoxy-4,6-O-p-methoxybenzylidene-a-D-galactopyranoside
Flupoxam
3(or 6)-Carboxy-9,10-dihydro-9,10-dioxo-1-anthracenyl beta-D-glucopyranosiduronic acid
Ponesimod
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators C308 - Immunotherapeutic Agent
(9beta,13alpha,14beta,17alpha)-2-Methoxyestra-1,3,5(10)-Triene-3,17-Diyl Disulfamate
1-[(2,6-Difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
2-((4aR,5R,5aR,8aR,9S)-10-(4-fluorophenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5,4:5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)acetic acid
N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
2-(5-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-2-fluoro-6-oxido-1,1-biphenyl-3-YL)succinate
Loxiglumide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Loxiglumide is a cholecystokinin (CCK-1) receptor antagonist.
[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(methylamino)ethyl hydrogen phosphate
3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one
gammaGluCys(IAN)Gly(1-)
A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu.
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-)
A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide and major species at pH 7.3.
Aspartyl adenylate beta-ketophosphonate isostere
An organic phosphonate that is adenosine having a [(3S)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl group attached at position 5.
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[3-(hydroxyamino)propyl]phosphinic acid
(3R,4R,8S,9S,11S,12S)-8-(dimethylamino)-3,4,5,12,15-pentahydroxy-1-methyl-7,13-dioxo-2-oxapentacyclo[9.8.0.03,12.04,9.014,19]nonadeca-5,14(19),15,17-tetraene-6-carboxamide
Glycitein 4-O-glucuronide
A glycosyloxyisoflavone that is the glucuronide-conjugated form of the phytoestrogen glycitein.
(5Z)-5-[[3-chloro-4-(2,3-dihydroxypropoxy)phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
N-[1-(2,6-difluorophenyl)sulfonyl-3-pyrrolidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]methyl]-2,6-difluorobenzenesulfonamide
N-[[1-(2,6-difluorophenyl)sulfonyl-3-azetidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-pyrrolidinyl]-2,6-difluorobenzenesulfonamide
3-L-leucyl-AMP
An L-leucine derivative that is the ester obtained by formal condensation of the carboxy group of L-leucine with the 3-hydroxy group of AMP.
3-L-isoleucyl-AMP
An L-isoleucine derivative that is the ester obtained by formal condensation of the carboxy group of L-isoleucine with the 3-hydroxy group of AMP.
2-(1-Naphthalenyl)acetic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester
2-[[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranuronosyloxy)-4-oxo-4H-chromen-5-olate
3-[2-hydroxyethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid ethyl ester
N-(4-chlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamide
2-[4-Hydroxy-6-(toluene-4-sulfonylamino)-pyrimidin-2-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S,3S)-2-azanyl-3-methyl-pentanoate
(2R)-2-[(4R,5S)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
4-[3-[4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-3-one
(2S)-2-[(4R,5S)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[3-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-N-(3-hydroxypropyl)formamide
4-[[3-(3-methoxyphenyl)-3-oxopropylidene]amino]-N-quinoxalin-2-ylbenzenesulfonamide
3,4,5-Trihydroxy-6-(6-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2-(2-methoxy-4-prop-2-enylphenoxy)carbonylphenoxy]oxane-2-carboxylic acid
6-(3-Benzoyloxy-2-methoxy-6-prop-2-enylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-Piperidin-1-yl-1-(3,9,11-trichloro-5,6-dihydrobenzo[c]acridin-7-yl)ethanol
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]oxane-2-carboxylic acid
(E)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] pentanoate
3,8,18,23-Tetrahydroxy-10,16-dimethyl-5,21-dioxaheptacyclo[11.9.1.11,15.14,7.02,12.011,25.019,24]pentacosa-2(12),3,7,9,11(25),15(24),16,18-octaene-6,14,20-trione
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
5,7-Dihydroxy-2,6-dimethoxyisoflavone 7-rhamnoside
luteolin 7-O-beta-D-glucosiduronate(2-)
A carbohydrate acid derivative anion arising from deprotonation of the carboxy and 5-hydroxy groups of luteolin 7-O-beta-D-glucosiduronic acid; major species at pH 7.3 (according to Marvin v 6.2.0.).
oxytetracycline zwitterion
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of oxytetracycline; major species at pH 7.3.
Oroxylin A 7-O-beta-D-glucuronide
The glycosyloxyflavone which is the 7-O-glucuronide of oroxylin A.
11a-hydroxytetracycline zwitterion
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of 11a-hydroxytetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Cetirizine Impurity C (dihydrochloride)
Cetirizine Impurity C dihydrochloride is an impurity of Cetirizine. Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist[1][2].
Octoclothepin (maleate salt)
Octoclothepin maleate salt, an orally active neuroleptic agent, is a dual SR-2A and D2DR inhibitor. Octoclothepin maleate salt reveals an intensive central depressant action in a series of observational and instrumental procedures in rodents[1][2].
RGD (Trifluoroacetate)
RGD Trifluoroacetate is a tripeptide that effectively triggers cell adhesion, addresses certain cell lines and elicits specific cell responses; RGD Trifluoroacetate binds to integrins.
TP-060
Glucosylceramide synthase-IN-1 (T-036) a potent, brain-penetrant and orally active glucosylceramide synthase (GCS) inhibitor with IC50s of 31 nM and 51 nM for human GCS and mouse GCS, respectively. Glucosylceramide synthase-IN-1 can be used for Gaucher's disease research[1].
(4s,4ar,5s,5ar,6s,12ar)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboximidic acid
8-methoxy-3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
(2s,3r,4ar,6r,7s,8s,8ar)-2-(3,4-dihydroxyphenyl)-3-[3-(3,4-dihydroxyphenyl)prop-2-yn-1-yl]-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
(6ar,9r,9ar)-9-acetyl-5-bromo-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
(1s,2r,4r)-2-bromo-4-[(2e,4e)-5-[(1r,4r)-4-bromo-1,3,3-trimethylcyclohexyl]penta-2,4-dien-2-yl]-1-methylcyclohexan-1-ol
[6-(4-acetylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-2h-chromen-7-yl]oxy}oxane-3,4,5-triol
methyl (2s)-3-{[(2s)-3-methoxy-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]-3-oxopropyl]disulfanyl}-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
methyl (1r,2s,4r,5s,7s,9s,12r,14s,15r)-5-(chloromethyl)-2,7-dihydroxy-12-methyl-10,17-dioxo-6,16,18,19-tetraoxapentacyclo[12.2.2.1⁴,⁷.1⁹,¹².0¹,¹⁵]icosane-5-carboxylate
(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
3,4,4'-trihydroxy-6-methyl-10'-(2-oxopropyl)-12',16'-dioxaspiro[oxane-2,17'-tetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadecane]-3',5',7'-triene-2',9',13'-trione
(4s,8r)-8,16-dihydroxy-2',4'-dioxaspiro[pentacyclo[9.7.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁹]nonadecane-3,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1(18),1'(13'),2(9),5',6,7',9',10,11',12,15(19),16-dodecaene-5,14-dione
3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl 1-hydroxy-4-methoxynaphthalene-2-carboxylate
[(2s,3r,4r,5s)-5-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methyl acetate
methyl 6-[(1r)-1-(phenazin-2-yloxy)ethyl]phenazine-1-carboxylate
(4s)-4,7,11,18-tetramethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol
3-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2-(hydroxymethyl)-6-{[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-2h-chromen-7-yl]oxy}oxane-3,4,5-triol
5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl (2s,3s,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoate
methyl 6-[1-(phenazin-2-yloxy)ethyl]phenazine-1-carboxylate
methyl (2s,3s,4s,5r,6s)-6-[(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
(5S)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one
{"Ingredient_id": "HBIN011924","Ingredient_name": "(5S)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one","Alias": "(3Z,5S)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one; NCI60_015805","Ingredient_formula": "C23H24O10","Ingredient_Smile": "C1C(C(=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)O","Ingredient_weight": "460.43","OB_score": "44.34146115","CAS_id": "126617-61-6","SymMap_id": "SMIT04981","TCMID_id": "NA","TCMSP_id": "MOL002798","TCM_ID_id": "NA","PubChem_id": "371598","DrugBank_id": "NA"}
baicalein 6-methylether-7-o-β-galactopyranuro-noside
{"Ingredient_id": "HBIN017510","Ingredient_name": "baicalein 6-methylether-7-o-\u03b2-galactopyranuro-noside","Alias": "NA","Ingredient_formula": "C22H20O11","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2105","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
