Exact Mass: 474.1132
Exact Mass Matches: 474.1132
Found 451 metabolites which its exact mass value is equals to given mass value 474.1132
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Chicoric acid
D-Chicoric acid is found in green vegetables. D-Chicoric acid is isolated from chicory (Cichorium intybus) and Cichorium endivia (endive). Isolated from chicory (Cichorium intybus) and Cichorium endivia (endive). D-Chicoric acid is found in green vegetables. Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation. Chicoric acid inhibits cell viability and induces mitochondria-dependent apoptosis in 3T3-L1 preadipocytes through ROS-mediated PI3K/Akt and MAPK signaling pathways. Chicoric acid increases glucose uptake, improves insulin resistance, and attenuates glucosamine-induced inflammation. Chicoric acid has antidiabetic properties and antioxidant, anti-inflammatory effects[1][2][3]. Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation. Chicoric acid inhibits cell viability and induces mitochondria-dependent apoptosis in 3T3-L1 preadipocytes through ROS-mediated PI3K/Akt and MAPK signaling pathways. Chicoric acid increases glucose uptake, improves insulin resistance, and attenuates glucosamine-induced inflammation. Chicoric acid has antidiabetic properties and antioxidant, anti-inflammatory effects[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3].
3-[({4-[4-({[1-(2-Chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
Chicoric acid
Chicoric acid (CAS: 6537-80-0) is found in the fresh aerial parts of different chicory varieties: green chicory (c.v. Catalogna), two red chicory varieties (radicchio rosso di Chioggia and radicchio rosso di Treviso), and Witloof or Belgian endive. Cichorium sp. L. is a member of the sunflower family (Asteraceae or Compositae), which also includes globe and Jerusalem artichokes, lettuce, and many ornamental plants. It is indigenous to Europe, western Asia, Egypt, and North America. In popular medicine, Cichorium intybus L. has been used to treat skin disorders, such as gout, because of its antihepatotoxic activity. Animal studies have revealed that preparations from chicory roots can lower serum and liver lipid concentration in rats. Cichorium aqueous extracts from roots and aerial parts have been reported for antibacterial activity. Chicory is used as a vegetable, fresh or cooked, while the ground and roasted roots are widely used for blending with coffee powder (PMID: 16076140). Chicoric acid inhibits human immunodeficiency virus type 1 integration in vivo and is a noncompetitive but reversible inhibitor of HIV-1 integrase in vitro (PMID: 15302207). D-chicoric acid, also known as D-chicate, belongs to tetracarboxylic acids and derivatives class of compounds. Those are carboxylic acids containing exactly four carboxyl groups. D-chicoric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). D-chicoric acid can be found in green vegetables, which makes D-chicoric acid a potential biomarker for the consumption of this food product. Cichoric acid is a hydroxycinnamic acid, an organic compound of the phenylpropanoid class and occurs in a variety of plant species. It is a derivative of both caffeic acid and tartaric acid . Chicoric acid is an organooxygen compound. It has a role as a HIV-1 integrase inhibitor and a geroprotector. It is functionally related to a tetracarboxylic acid. Chicoric acid is a natural product found in Cichorium intybus, Cinnamomum camphora, and other organisms with data available. D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation. Chicoric acid inhibits cell viability and induces mitochondria-dependent apoptosis in 3T3-L1 preadipocytes through ROS-mediated PI3K/Akt and MAPK signaling pathways. Chicoric acid increases glucose uptake, improves insulin resistance, and attenuates glucosamine-induced inflammation. Chicoric acid has antidiabetic properties and antioxidant, anti-inflammatory effects[1][2][3]. Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation. Chicoric acid inhibits cell viability and induces mitochondria-dependent apoptosis in 3T3-L1 preadipocytes through ROS-mediated PI3K/Akt and MAPK signaling pathways. Chicoric acid increases glucose uptake, improves insulin resistance, and attenuates glucosamine-induced inflammation. Chicoric acid has antidiabetic properties and antioxidant, anti-inflammatory effects[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3].
Apigenin 7-O-(6'-O-acetylglucoside)
Apigenin 7-O-(6-O-acetylglucoside) is found in german camomile. Apigenin 7-O-(6-O-acetylglucoside) is isolated from Matricaria chamomilla (German chamomile). Isolated from Matricaria chamomilla (German chamomile). 6-Acetylcosmosiin is found in german camomile and herbs and spices.
3'-O-Acetylafzelin
3-O-Acetylafzelin is found in herbs and spices. 3-O-Acetylafzelin is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger). 3-O-Acetylafzelin is found in herbs and spices.
alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose
Constituent in cell wall polysaccharide of immature barley plants. Isolated from the enzymatic hydrolysates of tamarind polysaccharide. alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose is found in cereals and cereal products and fruits. alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose is found in cereals and cereal products. Constituent in cell wall polysaccharide of immature barley plants. It is isolated from the enzymatic hydrolysates of tamarind polysaccharide.
Kaempferol 3-(2'-acetylrhamnoside)
Kaempferol 3-(2-acetylrhamnoside) is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger)
D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose
D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose is found in fruits. D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose is isolated from the hydrolysate of the gum of Spondias dulcis (ambarella). Isolated from the hydrolysate of the gum of Spondias dulcis (ambarella). D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose is found in fruits.
4'-O-Acetylafzelin
4-O-Acetylafzelin is found in herbs and spices. 4-O-Acetylafzelin is a constituent of Zingiber zerumbet (wild ginger). Constituent of Zingiber zerumbet (wild ginger). 4-O-Acetylafzelin is found in herbs and spices.
6'-O-Acetylgenistin
Isolated from seeds of soybean (Glycine max). Therefore, it is present in soy foods suc as miso, soy yogurt, soy milk, and soy bean. 6-O-Acetylgenistin is a potential nutriceutical (having medicinal benefit). 6-O-Acetylgenistin is found in miso. 6-O-Acetylgenistin is isolated from seeds of soybean (Glycine max). 6-O-Acetylgenistin is present in soy foods. Potential nutriceutica
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester is found in herbs and spices. trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester is a constituent of Salvia officinalis (sage). Constituent of Salvia officinalis (sage). trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester is found in herbs and spices.
Betavulgarin glucoside
Betavulgarin glucoside is found in root vegetables. Betavulgarin glucoside is isolated from Beta vulgaris (suger beet) infected with Rhizoctonia solani as a phytoalexin. Isolated from Beta vulgaris (suger beet) infected with Rhizoctonia solani as a phytoalexin. Betavulgarin glucoside is found in root vegetables.
Apigenin 7-O-(2'-O-acetylglucoside)
Apigenin 7-O-(2-O-acetylglucoside) is found in german camomile. Apigenin 7-O-(2-O-acetylglucoside) is isolated from Matricaria chamomilla (German chamomile). Isolated from Matricaria chamomilla (German chamomile). 2-Acetylcosmosiin is found in german camomile and herbs and spices.
a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose
Residue present in tomato oligosaccharides. a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose is found in garden tomato. a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose is found in garden tomato. Residue present in tomato oligosaccharides.
Enterolactone 3'-glucuronide
Enterolactone 3-glucuronide is a lignan metabolite produced in the liver. Enterolactone glucuronide is a potential urinary biomarker of whole grain intake (PMID: 23307617).
Enterolactone 3'-glucuronide
Enterolactone 3-glucuronide is a lignan metabolite produced in the liver. Enterolactone glucuronide is a potential urinary biomarker of whole grain intake (PMID: 23307617).
(2R,3R)-2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid
3-[({4-[4-({[1-(2-Chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
Rilmazafone
Apigenin 7-(6'-O-acetyl)-glucoside
Apigenin 7-(6-o-acetyl)-glucoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Apigenin 7-(6-o-acetyl)-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-(6-o-acetyl)-glucoside can be found in german camomile, which makes apigenin 7-(6-o-acetyl)-glucoside a potential biomarker for the consumption of this food product.
Viviparum A
Pongamoside D
4,5-Dihydro-11,5-dihydroxy-4-methoxytephrosin
A member of the class of rotenones that is 4,5-dihydrotephrosin substituted by hydroxy groups at positions 11 and 5 and a methoxy group at position 4. It is isolated from the stems of Tephrosia toxicaria and exhibits antineoplastic activity.
6,7-Dihydroxy-3-methyoxy-4,5-methylenedioxyisoflavone 6-O-rhamnoside
9beta-Acetoxy-9beta-(5-acetoxy-tiglinoyloxy)-2-oxo-ludartin
Apigenin 7-(2-acetylglucoside)
6-o-acetylgenistin
3-(6-methoxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(3,4-dihydroxyphenyl)[3-(beta-D-glucopyranosyloxy)-6,7-dihydroxynaphthalen-1-yl]methanone|crassifoside A
7,8-trans-8,8-trans-7,8-trans-7,7-bis(5-methoxy-3,4-methylenedioxyphenyl)-8-acetoxymethyl-8-hydroxymethyltetrahydrofuran
5-methoxyphthalide 7-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|5-Methoxyphthalide 7-O-??-xylopyranosyl-(1鈥樏傗垎6)-??-glucopyranoside
11-O-coumaroylbergenin|bergenin 11-O-(E)-coumalate
(1RS,2SR)-1,2-dihydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxynaphthalene-2,3-dicarboxylic acid dimethyl ester|dimethyl (?)-thomasidioate|thomasidioic acid dimethyl ester|trans-thomasidioic acid dimethyl ester
(2R)-2-[(4-hydroxyphenyl)methyl]-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2H-furan-5-one
6-O-acetyl-5-O-beta-D-galactopyranosyl-7,4-dihydroxy-4-phenylcoumarin
alpha-L-Araf-(1 -> 4)-beta-D-Galp-(1 -> 6)-alphabeta-D-Galp
O-beta-D-Galactopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-xylose
2-(benzoyloxymethyl)phenyl (3,6-di-O-acetyl)-beta-D-glucopyranoside
4?,6?-O-[3,5-dicarbonyl-8-hydroxy-2-(4?,5?-dihydroxy-phenyl)-1-benzofuran-2-yl]-alpha/beta-d-glucopyranose|salviniside II
dimethyl (E,E)-4,4?-dihydroxy-3,3?,5,5?-tetramethoxylign-7,7?-dien-9,9?-dioate
1,3,6-Trihydroxy-2-methyl-9,10-anthra-quinone-3-O-(6-O-acetyl)-??-D-glucoside|1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6-O-acetyl)-beta-D-glucopyranoside
8alpha-(5-acetoxysenecioyloxy)-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate
8-O-beta-D-Glucoside-2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone
O-beta-D-Galactopyranosyl-(1 - > 6)-O-beta-D-galactopyranosyl-(1 - > 3)-L-arabinose|O3-(O6-beta-D-Galactopyranosyl-beta-D-galactopyranosyl)-L-arabinose
Hyperxanthone|Hypholomin A|Hypholomin-A|Hypholomine A
Ki16425
Vandetanib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Oroxylin A 7-O-β-D-glucuronide methyl ester
Baicalein 7-O-β-D-ethylglucuronide
3-(6-methoxy-1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
9-methoxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
Cys Cys Cys Phe
Cys Cys Phe Cys
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Cys Ser Glu His
Cys Ser His Glu
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Cys Thr His Asp
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Cys Tyr Ser Cys
Asp Cys His Thr
Asp Cys Thr His
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Asp Asp Pro Glu
Asp Glu Asp Pro
Asp Glu Pro Asp
Asp His Cys Thr
Asp His Thr Cys
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Asp Pro Glu Asp
Asp Thr Cys His
Asp Thr His Cys
Glu Cys His Ser
Glu Cys Ser His
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Glu His Cys Ser
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Glu Ser Cys His
Glu Ser His Cys
Phe Cys Cys Cys
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His Cys Glu Ser
His Cys Ser Glu
His Cys Thr Asp
His Asp Cys Thr
His Asp Thr Cys
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His Glu Ser Cys
His Ser Cys Glu
His Ser Glu Cys
His Thr Cys Asp
His Thr Asp Cys
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Pro Asp Glu Asp
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Ser Cys Cys Tyr
Ser Cys Glu His
Ser Cys His Glu
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trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester
Apigenin 7-(2''-acetylglucoside)
Apigenin 7-(6''-acetylglucoside)
D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose
alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose
4''-O-Acetylafzelin
3''-O-Acetylafzelin
a-L-Arabinofuranosyl-(1->2)-[a-D-mannopyranosyl-(1->6)]-D-mannose
Betavulgarin glucoside
Rilmazafone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy ]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benz oate
Briciclib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Methyl 1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucopyranoside
(4-chlorophenyl)methyl-triphenylphosphanium,tetrafluoroborate
6-bromohexyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
Benzeneacetic acid, 4-chloro-a-[[2-[[[(1,1-dimethylethoxy)carbonyl]amino]iminomethyl]benzo[b]thien-6-yl]oxy]-, methyl ester
Thiazolo[5,4-d]thiazole, 2,5-bis(3-hexyl-2-thienyl)-
Picloxydine
S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(alpha-methylphenacyl)triphenylphosphonium bromide
METHYL3,4-DI[[(4-METHYLPHENYL)SULFONYL]AMINO]BENZOATE
Glutaminase C-IN-1
Glutaminase C-IN-1 (Compound 968) is an allosteric inhibitor of Glutaminase C that inhibits cancer cell growth without affecting their normal cellular counterparts[1][2].
2,3,5-Tri-O-benzoyl-2-C-methyl-D-ribonic acid-1,4-lactone
flecainide acetate
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(2S,3R,4S,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-tetrahydro-6-(hydroxymethyl)-2-methoxy-2H-pyran-3,4,5-triol
3-Methyl-1-octyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]methanide
6-Chloro-2-oxo-4-methylchromen-7-yl 4-O-beta-D-xylopyranosyl-beta-D-xylopyranoside
bis(pentamethylcyclopentadienyl)cobalt(iii) hexafluorophosphate
N-(4-CHLORO-2-METHYLPHENYL)-2-(N-(3,4-DIMETHOXYPHENYL)PHENYLSULFONAMIDO)ACETAMIDE
1-N,4-N-bis(3-chlorophenyl)-3,6-dipropyl-1,2,4,5-tetrazine-1,4-dicarboxamide
1,4,7,10,13,16-Hexaazacyclooctadecane Hexahydrochloride
[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
4-[[(1E)-2-(4-Chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
Chicoric acid
Constituent of leaves of chicory (Cichorium intybus) and endive Cichorium endivia. L-Chicoric acid is found in many foods, some of which are lettuce, chicory, endive, and dandelion. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3]. L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3].
methyl 6-benzyl-2-[(2-oxochromene-3-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
alpha-D-xylosyl-(1->6)-beta-D-glucosyl-(1->4)-beta-D-glucose
(4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)-5-oxohexanoic acid
3-(4-chlorophenyl)sulfonyl-N,N-diethyl-7,8-dimethoxytriazolo[1,5-a]quinolin-5-amine
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoyl]oxyoxane-2-carboxylic acid
2,3-Bis[3-(3,4-dihydroxyphenyl)-propenoyloxy]butanedioic acid
2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide
1-(2,6-Difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepane
1-(2,6-difluorophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine
N-[1-(2,6-difluorophenyl)sulfonyl-4-piperidinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
(2S)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
(2R)-4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
(2S)-4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
3-deoxy-4-O-D-glycero-alpha-D-talo-oct-2-ulopyranonosyl-alpha-D-manno-oct-2-ulopyranosonic acid
3-[({4-[4-({[(1S)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
3-[({4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid
3-[4-(4-Morpholinylsulfonyl)phenyl]propanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
4-[benzenesulfonyl(methyl)amino]-N-[2-[(4-chlorophenyl)methylthio]ethyl]benzamide
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)piperidine-3-carboxamide
N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
N-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
alpha-D-mannosyl-(1->6)-[beta-D-xylosyl-(1->2)]-beta-D-mannose
alpha-L-arabinosyl-(1->3)-beta-D-galactosyl-(1->6)-D-galactose
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-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
(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidin-1-ium-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
2-[(2S,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aR,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3S,6aS,8S,10aS)-1-(3,5-dichlorobenzoyl)-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,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-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
N-[[(4R,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
N-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-8-[[(3,5-difluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
2-[(3S,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
N-[[(4R,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
N-[[(4S,5S)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide
2-[(2R,4aR,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3R,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-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,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-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
5-Methoxy-4-(beta-D-glucopyranosyloxy)-6,7-(methylenedioxy)isoflavone
[2-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] butanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] pentanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] hexanoate
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol)
A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as butanoyl.
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl beta-D-glucuronide(1-)
A beta-D-glucosiduronate that is the conjugate base of E3040 glucuronide, obtained by the deprotonation of the carboxy group; major species at pH 7.3.
ertapenem(1-)
The mono-anion resulting from the removal of a proton from one of the carboxyic acid groups of ertapenem.
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6-O-acetyl)-beta-D-glucopyranoside
A monosaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6-O-acetyl)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis.
GluN2B-NMDAR antagonist-1
GluN2B-NMDAR antagonist-1 is an orally active GluN2B-NMDAR antagonist. GluN2B-NMDAR antagonist-1 has neuroprotective activity. GluN2B-NMDAR antagonist-1 can be used for research of ischemic injury[1].
6,11,14-trihydroxy-5,17,18-trimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,9,11,15(20),16,18-hexaen-13-one
(2s,3s,4r,5r,6s)-4,5-dihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}-3-methoxyoxane-2-carboxylic acid
3-{2-[(5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-yl)oxy]-6-methoxy-3-(methoxycarbonyl)-4-methylphenyl}prop-2-enoic acid
{[2-amino-1,4-dihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3h-pyridin-1-yl)oxolan-2-yl]acetic acid
(2s,3r,4s,5s,6r)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
methyl 2-[(5z)-9-(acetyloxy)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.0⁴,¹⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-4-yl]-2-oxoacetate
4,5-dihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}-3-methoxyoxane-2-carboxylic acid
[(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 8-hydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylate
methyl 6,6a,7,10a,12-pentahydroxy-3,8-dimethoxy-1-methyl-10,11-dioxo-6,7-dihydrotetracene-2-carboxylate
5,13,17,19-tetrahydroxy-15,22-dioxo-7-(2-oxopropyl)pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaene-6-carboxylic acid
2-acetyl-5-hydroxy-3-(4-hydroxyphenyl)-7-{[(2s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
2,3-dimethyl 7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxylate
(16r,18r,19s,20s,21r,23s,25r)-21-(hydroxymethyl)-15,17,22,24-tetraoxahexacyclo[12.12.0.0²,⁷.0⁸,¹³.0¹⁶,²⁵.0¹⁸,²³]hexacosa-1(14),2(7),3,5,8(13),9,11-heptaene-4,5,10,11,19,20-hexol
(2r,3r,4r,5s,6s)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
9,10'-dihydroxy-2',3-dimethyl-[2,9'-bianthracene]-1,1',4,4'-tetrone
[4-(hydroxymethyl)-2,5-bis(7-methoxy-2h-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
(4s,18r)-18-isopropyl-4,7-dimethyl-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
3,4,6,8-tetrahydroxy-1-phenanthrenecarboxylic acid; 3,4-methylene,8-me ether,6-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN007312","Ingredient_name": "3,4,6,8-tetrahydroxy-1-phenanthrenecarboxylic acid; 3,4-methylene,8-me ether,6-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C23H22O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8305","PubChem_id": "NA","DrugBank_id": "NA"}
8-methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-hydroxy,o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN013804","Ingredient_name": "8-methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-hydroxy,o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C23H22O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7341","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerrotenoid pmv70p691-036
{"Ingredient_id": "HBIN016352","Ingredient_name": "anticancerrotenoid pmv70p691-036","Alias": "NA","Ingredient_formula": "C24H26O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1436","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
beta-d-xylopyranosyl-(1-6)-alpha-d-glucopyranosl-(1-6)-beta-d-glucopyranoside
{"Ingredient_id": "HBIN018087","Ingredient_name": "beta-d-xylopyranosyl-(1-6)-alpha-d-glucopyranosl-(1-6)-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H30O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32241","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}