Exact Mass: 460.171
Exact Mass Matches: 460.171
Found 500 metabolites which its exact mass value is equals to given mass value 460.171
,
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
N-Desmethyl sildenafil (UK-103,320)
N-Desmethyl sildenafil (UK-103 320) is a metabolite of sildenafil. Sildenafil citrate, sold as Viagra, Revatio and under various other trade names, is a drug used to treat erectile dysfunction and pulmonary arterial hypertension (PAH). It was originally developed by British scientists and then brought to market by the US-based pharmaceutical company Pfizer. It acts by inhibiting cGMP-specific phosphodiesterase type 5, an enzyme that promotes degradation of cGMP, which regulates blood flow in the penis. (Wikipedia) D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Tovophyllin B
Tovophyllin B is found in fruits. Tovophyllin B is a constituent of Garcinia mangostana (mangosteen)
Garcimangosone A
Garcimangosone A is found in fruits. Garcimangosone A is a constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone A is found in fruits.
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.
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.
Benzenebutanoic acid, 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)thio)-gamma-hydroxy-beta-methyl-, (R*,S*)-
N-Desethyl Vardenafil
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.
[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
Methyl 2-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}benzoate
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol
(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,,
2-(2-(3,4-dihydro-3,9-dihydroxy-3-(hydroxymethyl)-7-methoxy-10-oxobenzo[g]isoquinolin-2(10H)-yl)acetamido)-3-methylpentanoic acid|713A
3beta-acetoxy-1alpha-hydroxy-8alpha-(5-acetoxyangeloyloxy)-eremanthin|3beta-acetoxy-1alpha-hydroxy-8alpha-<5-acetoxyangeloyloxy>-eremanthin
1-[(2-O-beta-D-glucopyranosyl)-2,6-dihydroxy-4-methoxyphenyl]-5,6-dihydroxyoctan-1-one|syzygioside
8-epi-8-<5-(4-hydroxytigloyloxy)-tigloyloxy>-rupicolin A|8-epi-8-[5-(4-hydroxytigloyloxy)-tigloyloxy]-rupicolin A
(E)-6,6-(but-2-ene-2,3-diylbis(oxy))bis(8-methyl-3,4-dihydronaphthalene-1-carboxylic acid)|ligulatrovine A
1,5-dihydroxy-6,6-dimethylpyrano[2,3:3,4]-6-(2-methyl-2-pentenyl)-6-methylpyrano[2,3:6,7]-xanthone|mesuarianone
4-methoxy-2,5-dimethylphenyl alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|illoliganoside B
(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
vervenone-10-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside
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
3-O-[beta-D-apiofurarnosyl-(1?6)-beta-D-glucopyranoxy]-6-hydroxy-p-cymene
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
(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
Benzyl glycoside,Me ester-3-O-beta-D-Glucopyranuronosyl-D-galactose
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
(2R,3R)-1-phenyl-2,3-butanediol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|everlastoside J
(R)-rhododendrol 2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside
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
[6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
C21H32O11_beta-D-Glucopyranoside, 3-(4-hydroxyphenyl)-1-methylpropyl 6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]
C21H32O11_4-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4xi)-alpha-L-threo-pentofuranosyl]-beta-D-glucopyranoside
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
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol
[6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
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
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol_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_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\\%
Ala Cys His Met
Ala Cys Met His
Ala Asp Gln Gln
Ala Glu Asn Gln
Ala Glu Gln Asn
Ala His Cys Met
Ala His Met Cys
Ala Met Cys His
Ala Met His Cys
Ala Asn Glu Gln
Ala Asn Gln Glu
Ala Gln Asp Gln
Ala Gln Glu Asn
Ala Gln Asn Glu
Ala Gln Gln Asp
Cys Ala His Met
Cys Ala Met His
Cys Cys His Val
Cys Cys Val His
Cys His Ala Met
Cys His Cys Val
Cys His Met Ala
Cys His Thr Thr
Cys His Val Cys
Cys Met Ala His
Cys Met His Ala
Cys Asn Pro Gln
Cys Asn Gln Pro
Cys Pro Asn Gln
Cys Pro Gln Asn
Cys Gln Asn Pro
Cys Gln Pro Asn
Cys Thr His Thr
Cys Thr Thr His
Cys Val Cys His
Cys Val His Cys
Asp Ala Gln Gln
Asp Glu Pro Thr
Asp Glu Thr Pro
Asp Asn Asn Val
Asp Asn Val Asn
Asp Pro Glu Thr
Asp Pro Thr Glu
Asp Gln Ala Gln
Asp Gln Gln Ala
Asp Thr Glu Pro
Asp Thr Pro Glu
Asp Val Asn Asn
Glu Ala Asn Gln
Glu Ala Gln Asn
Glu Asp Pro Thr
Glu Asp Thr Pro
Glu Glu Pro Ser
Glu Glu Ser Pro
Glu Gly Gln Gln
Glu Asn Ala Gln
Glu Asn Gln Ala
Glu Pro Asp Thr
Glu Pro Glu Ser
Glu Pro Ser Glu
Glu Pro Thr Asp
Glu Gln Ala Asn
Glu Gln Gly Gln
Glu Gln Asn Ala
Glu Gln Gln Gly
Glu Ser Glu Pro
Glu Ser Pro Glu
Glu Thr Asp Pro
Glu Thr Pro Asp
Gly Glu Gln Gln
Gly Gln Glu Gln
Gly Gln Gln Glu
His Ala Cys Met
His Ala Met Cys
His Cys Ala Met
His Cys Cys Val
His Cys Met Ala
His Cys Thr Thr
His Cys Val Cys
His Met Ala Cys
His Met Cys Ala
His Met Ser Ser
His Ser Met Ser
His Ser Ser Met
His Thr Cys Thr
His Thr Thr Cys
His Val Cys Cys
Met Ala Cys His
Met Ala His Cys
Met Cys Ala His
Met Cys His Ala
Met His Ala Cys
Met His Cys Ala
Met His Ser Ser
Met Ser His Ser
Met Ser Ser His
Asn Ala Glu Gln
Asn Ala Gln Glu
Asn Cys Pro Gln
Asn Cys Gln Pro
Asn Asp Asn Val
Asn Asp Val Asn
Asn Glu Ala Gln
Asn Glu Gln Ala
Asn Asn Asp Val
Asn Asn Val Asp
Asn Pro Cys Gln
Asn Pro Gln Cys
Asn Gln Ala Glu
Asn Gln Cys Pro
Asn Gln Glu Ala
Asn Gln Pro Cys
Asn Val Asp Asn
Asn Val Asn Asp
Pro Cys Asn Gln
Pro Cys Gln Asn
Pro Asp Glu Thr
Pro Asp Thr Glu
Pro Glu Asp Thr
Pro Glu Glu Ser
Pro Glu Ser Glu
Pro Glu Thr Asp
Pro Asn Cys Gln
Pro Asn Gln Cys
Pro Gln Cys Asn
Pro Gln Asn Cys
Pro Ser Glu Glu
Pro Thr Asp Glu
Pro Thr Glu Asp
Gln Ala Asp Gln
Gln Ala Glu Asn
Gln Ala Asn Glu
Gln Ala Gln Asp
Gln Cys Asn Pro
Gln Cys Pro Asn
Gln Asp Ala Gln
Gln Asp Gln Ala
Gln Glu Ala Asn
Gln Glu Gly Gln
Gln Glu Asn Ala
Gln Glu Gln Gly
Gln Gly Glu Gln
Gln Gly Gln Glu
Gln Asn Ala Glu
Gln Asn Cys Pro
Gln Asn Glu Ala
Gln Asn Pro Cys
Gln Pro Cys Asn
Gln Pro Asn Cys
Gln Gln Ala Asp
Gln Gln Asp Ala
Gln Gln Glu Gly
Gln Gln Gly Glu
Ser Glu Glu Pro
Ser Glu Pro Glu
Ser His Met Ser
Ser His Ser Met
Ser Met His Ser
Ser Met Ser His
Ser Pro Glu Glu
Ser Ser His Met
Ser Ser Met His
Thr Cys His Thr
Thr Cys Thr His
Thr Asp Glu Pro
Thr Asp Pro Glu
Thr Glu Asp Pro
Thr Glu Pro Asp
Thr His Cys Thr
Thr His Thr Cys
Thr Pro Asp Glu
Thr Pro Glu Asp
Thr Thr Cys His
Thr Thr His Cys
Val Cys Cys His
Val Cys His Cys
Val Asp Asn Asn
Val His Cys Cys
Val Asn Asp Asn
Val Asn Asn Asp
N-(2-phenylethyl)-Indomethacin amide
Tovophyllin B
Methyl salicylate O-[rhamnosyl-(1->6)-glucoside]
Garcimangosone A
Apiosylrhododendrin
{6-Acetoxy-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}methyl 3-methylbutanoate
PDK1 inhibitor AR-12
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate
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
Difenoxin hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent
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.
2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxane-3,4,5-triol
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
Benzenebutanoic acid, 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)thio)-gamma-hydroxy-beta-methyl-, (R*,S*)-
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.
2-amino-1-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide
N-(4-ethoxyphenyl)-2-[5-oxo-1-phenyl-3-(2-pyridinylmethyl)-2-sulfanylidene-4-imidazolidinyl]acetamide
2-(1H-Benzoimidazol-2-yl)-3-(2,4-di-morpholin-4-yl-5-nitro-phenyl)-acrylonitrile
4-amino-N5-[2-(4-morpholinyl)ethyl]-N5-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]isothiazole-3,5-dicarboxamide
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
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
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] octanoate
(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
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.
(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-(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
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
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3-hydroxy-1-phenylbutan-2-yl)oxy]oxane-3,4,5-triol
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
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-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl 1-hydroxy-4-methoxynaphthalene-2-carboxylate
methyl (4s,5r,6s)-4-{[(2s,4r,5s)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl}-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-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
10,15-dihydroxy-7,7,19,19-tetramethyl-11-(3-methylbut-2-en-1-yl)-2,8,20-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-one
methyl 6-[1-(phenazin-2-yloxy)ethyl]phenazine-1-carboxylate
10906642
{"Ingredient_id": "HBIN000040","Ingredient_name": "10906642","Alias": "NA","Ingredient_formula": "C21H32O11","Ingredient_Smile": "CC1CCOC(O1)CC2C(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)C=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "637","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
11037878
{"Ingredient_id": "HBIN000217","Ingredient_name": "11037878","Alias": "NA","Ingredient_formula": "C21H32O11","Ingredient_Smile": "CC1CCOC(O1)CC2C(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)C=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "638","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(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"}
4'-deoxykanokoside a
{"Ingredient_id": "HBIN010323","Ingredient_name": "4'-deoxykanokoside a","Alias": "NA","Ingredient_formula": "C21H32O11","Ingredient_Smile": "CC(C)CC(=O)OC1C2C(C3C(C2(CO)O)O3)C(=CO1)COC4C(C(CC(O4)CO)O)O","Ingredient_weight": "460.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5184","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10072944","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"}
apiosylepirhododendrin
{"Ingredient_id": "HBIN016497","Ingredient_name": "apiosylepirhododendrin","Alias": "NA","Ingredient_formula": "C21H32O11","Ingredient_Smile": "CC(CCC1=CC=C(C=C1)O)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "460.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1522","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101287073","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"}