Exact Mass: 460.1532
Exact Mass Matches: 460.1532
Found 500 metabolites which its exact mass value is equals to given mass value 460.1532
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Paeonolide
Paeonolide is a glycoside. Paeonolide is a plant glycoside that contains a non-reducing end α-l-arabinopyranoside and is found in the roots of the widespread plant genus Paeonia[1]. Paeonolide is a plant glycoside that contains a non-reducing end α-l-arabinopyranoside and is found in the roots of the widespread plant genus Paeonia[1].
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].
11a-Hydroxytetracycline
A member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.
Benazepril hydrochloride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Apremilast, (+/-)-
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
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.
Methyl salicylate O-[rhamnosyl-(1->6)-glucoside]
Methyl salicylate O-[rhamnosyl-(1->6)-glucoside] is found in fruits. Methyl salicylate O-[rhamnosyl-(1->6)-glucoside] is a constituent of the fruit of purple passion fruit (Passiflora edulis). Constituent of the fruit of purple passion fruit (Passiflora edulis). Methyl salicylate O-[rhamnosyl-(1->6)-glucoside] is found in fruits.
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.
Apremilast
Devd-cho
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors
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
Tert-butyl 4-[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylate
apiopeonoside
Apiopaeonoside is a natural product isolated from the root of Paeonia suffruticosa[1]. Apiopaeonoside is a natural product isolated from the root of Paeonia suffruticosa[1].
Apiopaeonoside
Apiopaeonoside is a natural product isolated from the root of Paeonia suffruticosa[1]. Apiopaeonoside is a natural product isolated from the root of Paeonia suffruticosa[1].
Eruberin A
An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2R,4S)-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene-4,5,7-triol across the 1- and 2-positions of beta-D-glucopyranose. It is a natural product extracted from the fern plant, Pronephrium penangianum and exerts antiproliferative and antifibrotic activity.
Antibiotic RP 1551-4
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
[3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 3-methylbutanoic acid
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.
Methyl 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}benzoate
(2S,3S)-2,3-Bis(5-methoxy-3,4-methylenedioxybenzyl)-butane-1,4-diol monoacetate|(2S,3S)-2,3-bis(5-methoxy-3,4-methylenedioxybenzyl)butane-1,4-diol monoacetate
1,2,3,4-tetrahydroxy-2-methylbutane-4-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside
1,2:3,4-Di-O-isopropylidene,6-diphenylphosphate-Tagatose,,
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
3beta-acetoxy-1alpha-hydroxy-8alpha-(5-acetoxyangeloyloxy)-eremanthin|3beta-acetoxy-1alpha-hydroxy-8alpha-<5-acetoxyangeloyloxy>-eremanthin
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
8-epi-8-<5-(4-hydroxytigloyloxy)-tigloyloxy>-rupicolin A|8-epi-8-[5-(4-hydroxytigloyloxy)-tigloyloxy]-rupicolin A
(3Z)-5-[2-(beta-D-glucopyranosyl)oxy-5-hydroxy-3-methoxyphenyl]-5-(4-hydroxyphenyl)-penta-1,3-diene
3,4-dimethoxyphenyl-1-O-beta-D-[6-O-[(3S)3-hydroxy-3-methyl-glutaryl]]-glucopyranoside
1-O-(2-methoxy-4-carboxylphenyl)-6-O-(E-cinnamoyl)-beta-D-glucopyranoside|scrophuloside D
4,5,6,6-Tetramethoxy-10-hydroxy-11,12-dimethyl-4,5-(epoxymethanoxy)-2,2-butanobiphenyl-3-carboxylic acid
7-O-alpha-L-rhamnopyranosyl-(1?6)-O-beta-D-glucopyranoside methyl salicylate
7-(2,3-Dihydroxy-3-methylbutoxy)-2-(3,4-dimethoxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one
7-beta-D-glucopyranosyloxymethyl-3,9-dimethoxy-5H-dibenzo[a,c][7]annulen-10-ol|subavenoside B
1,2-(beta-3,4-dihydroxylphenyl-alpha,beta-dioxoethanol)-O-alpha-L-rhamnopyranosyl-(1 6)-beta-D-glucopyranoside|suspensaside C
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
(aS)-(5R,6S,7R,8R)-5,6,7,8-tetrahydro-1,5-dihydroxy-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxol-8-yl acetate|kadsuphilin G
3-O-beta-D-glucopyranosyl-3-hydroxy-6,8-dimethoxy-2-methylanthraquinone
Benzyl glycoside,Me ester-3-O-beta-D-Glucopyranuronosyl-D-galactose
3,3,4,5,6,7-Hexa-Me ether,Ac-3,3,4,5,5,6,7-Heptahydroxyflavone
erythro-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(E)-3-acetoxypropen-1-yl]-2-methoxyphenoxy}propan-1,3-diol 3-acetate|threo-1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(E)-3-acetoxypropen-1-yl]-2-methoxyphenoxy}propan-1,3-diol 3-acetate
7-Me ether,7-O-alpha-L-rhamnopyranoside-4,5,7-Trihydroxy-6,8-dimethylflavanone
(Z)-4xi,,6xi,7xi,9xi-Tetraacetoxy-5xi-hydroxy-8-oxododeca-2-enoic acid
10-demethoxy-11-ethoxydaphylloside|asperulosidic acid ethyl ester|ethyl(1S,4aS,5S,7aS)-7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a,-tetrahydro-5-hydroxycyclopenta[c]pyran-4-carboxylate
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].
clindamycin hydrochloride
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C82922 - Lincosamide Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
C20H28O12_6-O-(Phenylacetyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside
C24H28O9_[(2R,3R,4aS,5S,5R,6S,8aS)-6-Acetoxy-5-(3-furyl)-2-methyl-2,4-dioxooctahydrodispiro[furan-3,1-naphthalene-5,2-oxiran]-4a(2H)-yl]methyl acetate
C20H28O12_4-Acetyl-2-methoxyphenyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
(2R,2S,4aS,5R,5S,6R,8aS)-2-(acetyloxy)-5-(furan-3-yl)-6-methyl-2,8-dioxo-octahydrodispiro[oxirane-2,1-naphthalene-5,3-oxolane]-8a-ylmethyl acetate
methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate
methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate_major
methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate_60.3\\%
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N-(2-phenylethyl)-Indomethacin amide
Methyl salicylate O-[rhamnosyl-(1->6)-glucoside]
5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside
6''-Acetylliquiritin
(5-Methyl-3-phenyl-1,2-oxazol-4-yl){4-[2-nitro-4-(trifluoromethyl )phenyl]-1-piperazinyl}methanone
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
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].
4-Nitrophenyl2-acetamido-2-deoxy-4,6-O-p-methoxybenzylidene-a-D-galactopyranoside
1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
(9beta,13alpha,14beta,17alpha)-2-Methoxyestra-1,3,5(10)-Triene-3,17-Diyl Disulfamate
Phosphoric acid, 2,3-bis(trimethylsiloxy)propyl bis(trimethylsilyl) ester
1-[[(1E)-2-(4-Chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine
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.
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.
(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
Abacopterin C
An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
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.
N-(4-ethoxyphenyl)-2-[5-oxo-1-phenyl-3-(2-pyridinylmethyl)-2-sulfanylidene-4-imidazolidinyl]acetamide
3-[2-hydroxyethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid ethyl ester
[[(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
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(3R,6aS,8S,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(3R,6aR,8S,10aR)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(3S,6aS,8S,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
4-[3-[4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-3-one
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
sodium (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-(butylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
N-[3-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-N-(3-hydroxypropyl)formamide
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-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] octanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] pentanoate
(2S,4R)-N-[(1R)-2-chloro-1-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] butanoate
5,7-Dihydroxy-2,6-dimethoxyisoflavone 7-rhamnoside
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.
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.).
GLS-1-IN-1
GLS-1-IN-1 (compound 1d) is a GLS-1 inhibitor. GLS-1-IN-1 shows inhibitory effect against Hep G2, MCF 7, and MCF 10A cells[1].
Pifusertib (hydrochloride)
Pifusertib (TAS-117) hydrochloride is a potent, selective, orally active allosteric Akt inhibitor (with IC50s of 4.8, 1.6, and 44 nM for Akt1, 2, and 3, respectively). Pifusertib hydrochloride triggers anti-myeloma activities and enhances fatal endoplasmic reticulum (ER) stress induced by proteasome inhibition. Pifusertib hydrochloride induces apoptosis and autophagy[1].
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
(2r,4'as,5's,5''s,6's,7's,8'as)-7'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2'',8'-dioxo-hexahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
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
8-(acetyloxy)-6a-hydroxy-6-methyl-3,9-dimethylidene-2-oxo-3ah,4h,7h,8h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-[(acetyloxy)methyl]but-2-enoate
[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 10-(hydroxymethyl)-3-methylidene-4,5-bis[(2-methylprop-2-enoyl)oxy]-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
5-(hydroxymethyl)-12-(4-methoxyphenyl)-15,17-dimethyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
(1s,2r,3s,6s,8r,12s,13r)-1-[(3r)-3-(acetyloxy)-5-methylidene-2,4-dioxooxolan-3-yl]-2,11,13-trimethyl-14,15-dioxatetracyclo[10.2.1.0²,¹¹.0³,⁸]pentadec-9-ene-6-carboxylic acid
(1r)-5,5',6,6',7,7'-hexamethoxy-4,8'-dimethyl-1'h,3h-spiro[2-benzofuran-1,3'-[2]benzopyran]-4'-one
2-(2,5-diethoxy-4-methoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one
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
8-chloro-5-[(1e,3e)-3,5-dimethylhepta-1,3-dien-1-yl]-12-hydroxy-10,14-dimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
7-(acetyloxy)-3'-hydroxy-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-4-yl 4-methylhexa-2,4-dienoate
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
3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl 1-hydroxy-4-methoxynaphthalene-2-carboxylate
(2z,4s,5r,6r,7r,9r)-4,6,7,9-tetrakis(acetyloxy)-5-hydroxy-8-oxododec-2-enoic acid
(1s,10s,14s,17r)-8-chloro-5-[(1e,3z,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-12-hydroxy-10,14-dimethyl-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-triene-9,16-dione
methyl 6-[(1r)-1-(phenazin-2-yloxy)ethyl]phenazine-1-carboxylate
(2s,4r,6s,10r,12r,13s)-13-(acetyloxy)-4,15-dimethyl-12-[(2s)-2-methyloxiran-2-yl]-8-oxo-3,7,17-trioxatetracyclo[12.2.1.1⁶,⁹.0²,⁴]octadeca-1(16),9(18),14-trien-10-yl acetate
(1r,2r,3s,4s,8s,9e)-10-(hydroxymethyl)-1-methyl-6-methylidene-3-[(2-methylprop-2-enoyl)oxy]-7,13-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-9,11-dien-2-yl 3-methylbutanoate
2''-(acetyloxy)-5''-(furan-3-yl)-7'-hydroxy-6'-methyl-8'-oxo-2',3',4',4'a-tetrahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
4-hydroxy-2,3-bis[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]butyl acetate
2-(hydroxymethyl)-6-{[3-(6-methoxy-2h-1,3-benzodioxol-5-yl)-2h-chromen-7-yl]oxy}oxane-3,4,5-triol
methyl 6-[1-(phenazin-2-yloxy)ethyl]phenazine-1-carboxylate
(2s,3s)-2,3-bis(5-methoxy-3,4-methylenedioxy-benzyl)-butane-1,4-diol monoacetate
{"Ingredient_id": "HBIN006692","Ingredient_name": "(2s,3s)-2,3-bis(5-methoxy-3,4-methylenedioxy-benzyl)-butane-1,4-diol monoacetate","Alias": "NA","Ingredient_formula": "C24H28O9","Ingredient_Smile": "CC(=O)OCC(CC1=CC2=C(C(=C1)OC)OCO2)C(CC3=CC4=C(C(=C3)OC)OCO4)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2482","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(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"}
6-acetylpicropoline
{"Ingredient_id": "HBIN012174","Ingredient_name": "6-acetylpicropoline","Alias": "NA","Ingredient_formula": "C24H28O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "486","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer lignan pmv70p691-126
{"Ingredient_id": "HBIN016349","Ingredient_name": "anticancer lignan pmv70p691-126","Alias": "NA","Ingredient_formula": "C24H28O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1426","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aplopaeonoside
{"Ingredient_id": "HBIN016499","Ingredient_name": "aplopaeonoside","Alias": "NA","Ingredient_formula": "C20H28O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14343","TCMID_id": "1524","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
asperulosidic acid ethyl ester
{"Ingredient_id": "HBIN017141","Ingredient_name": "asperulosidic acid ethyl ester","Alias": "NA","Ingredient_formula": "C20H28O12","Ingredient_Smile": "CCOC(=O)C1=COC(C2C1C(C=C2COC(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "460.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35520","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21580986","DrugBank_id": "NA"}