Exact Mass: 462.0780058

Exact Mass Matches: 462.0780058

Found 115 metabolites which its exact mass value is equals to given mass value 462.0780058, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Luteolin 7-glucuronide

(2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


Luteolin 7-glucuronide, also known as cyanidenon-7-O-B-D-glucuronate or luteolin 7-O-beta-D-glucuronopyranoside, is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Luteolin 7-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Luteolin 7-glucuronide can be found in a number of food items such as globe artichoke, wild carrot, carrot, and lettuce, which makes luteolin 7-glucuronide a potential biomarker for the consumption of these food products. Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively. Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

Cefamandole

(6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C18H18N6O5S2 (462.0780058)


Cefamandole is only found in individuals that have used or taken this drug. It is a broad-spectrum cephalosporin antibiotic. The clinically used form of cefamandole is the formate ester cefamandole nafate, a prodrug which is administered parenterally. Cefamandole is no longer available in the United States.Like all beta-lactam antibiotics, cefamandole binds to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, causing the inhibition of the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefamandole interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Rimonabant

N-(Piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide hydrochloride

C22H21Cl3N4O (462.0780866)


Rimonabant is an anorectic anti-obesity drug produced and marketed by Sanofi-Aventis. It is an inverse agonist for the cannabinoid receptor CB1. Its main avenue of effect is reduction in appetite. Rimonabant is the first selective CB1 receptor blocker to be approved for use anywhere in the world. Rimonabant is approved in 38 countries including the E.U., Mexico, and Brazil. It was rejected for approval for use in the United States. This decision was made after a U.S. advisory panel recommended the medicine not be approved because it may increase suicidal thinking and depression. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063387 - Cannabinoid Receptor Antagonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D019440 - Anti-Obesity Agents Same as: D05731

   

Luteolin

(2S,3S,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

C21H18O12 (462.0798228)


Luteolin 7-O-beta-D-glucosiduronic acid is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position. It has a role as a metabolite. It is a trihydroxyflavone, a glycosyloxyflavone, a monosaccharide derivative and a luteolin O-glucuronoside. It is a conjugate acid of a luteolin 7-O-beta-D-glucosiduronate and a luteolin 7-O-beta-D-glucosiduronate(2-). Luteolin 7-glucuronide is a natural product found in Galeopsis tetrahit, Galeopsis ladanum, and other organisms with data available. A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position. Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively. Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   
   

Kaempferol 3-glucuronide

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


Isolated from the leaves of Euphorbia lathyris, Euphorbia cyparissias, Anemone alpina and Phaseolus vulgaris (kidney bean) and many other plants [CCD]. Kaempferol 3-glucuronide is found in many foods, some of which are dill, fennel, strawberry, and green bean. Kaempferol 3-glucuronide is found in chicory. Kaempferol 3-glucuronide is isolated from the leaves of Euphorbia lathyris, Euphorbia cyparissias, Anemone alpina and Phaseolus vulgaris (kidney bean) and many other plants [CCD Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   

Luteolin 7-glucuronide

Luteolin 7-O-glucuronide

C21H18O12 (462.0798228)


Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively. Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

luteolin 3-O-beta-D-glucuronide

luteolin 3-O-beta-D-glucuronide

C21H18O12 (462.0798228)


   

6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

6-{[6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

3-Methylellagic acid 8-rhamnoside

6,13-dihydroxy-7-methoxy-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


3-Methylellagic acid 8-rhamnoside is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum)

   

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

kaempferol-3-o-glucuronide

kaempferol-3-o-glucuronide

C21H18O12 (462.0798228)


   

Oxazepam glucuronide

(2S,3S,4S,5R,6S)-6-[(7-chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H19ClN2O8 (462.08298840000003)


Oxazepam glucuronide belongs to the family of Glucuronic Acid Derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

   

Luteolin 3'-glucuronide

(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

Cefatrizine

7-{[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-8-oxo-3-[(1H-1,2,3-triazol-5-ylsulphanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C18H18N6O5S2 (462.0780058)


   

Scutellarein 7-glucuronide

6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

luteolin 3-glucuronide

(2S,3S,4S,5R,6S)-6-(5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

C21H18O12 (462.0798228)


Luteolin 3-O-glucuronide is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3-position. It has a role as a metabolite. It is a luteolin O-glucuronoside and a trihydroxyflavone. Luteolin 3-o-glucuronide is a natural product found in Salvia, Salvia officinalis, and other organisms with data available. See also: Rosemary (part of). A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3-position. Luteolin-3-O-beta-D-glucuronide is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3'-position. Luteolin-3-O-beta-D-glucuronide is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3'-position.

   

Scutellarin

(2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

C21H18O12 (462.0798228)


Scutellarin is the glycosyloxyflavone which is the 7-O-glucuronide of scutellarein. It has a role as an antineoplastic agent and a proteasome inhibitor. It is a glycosyloxyflavone, a glucosiduronic acid, a trihydroxyflavone and a monosaccharide derivative. It is functionally related to a scutellarein. It is a conjugate acid of a scutellarin(1-). Scutellarin is a natural product found in Scoparia dulcis, Sempervivum ruthenicum, and other organisms with data available. Scutellarin, an active flavone isolated from Scutellaria baicalensis, can down-regulates the STAT3/Girdin/Akt signaling in HCC cells, and inhibits RANKL-mediated MAPK and NF-κB signaling pathway in osteoclasts. Scutellarin is active against HIV-1IIIB, HIV-1(74V) and HIV-1KM018 with EC50s of 26 μM, 253 μM and 136 μM, respectively. Scutellarin, an active flavone isolated from Scutellaria baicalensis, can down-regulates the STAT3/Girdin/Akt signaling in HCC cells, and inhibits RANKL-mediated MAPK and NF-κB signaling pathway in osteoclasts. Scutellarin is active against HIV-1IIIB, HIV-1(74V) and HIV-1KM018 with EC50s of 26 μM, 253 μM and 136 μM, respectively. Scutellarin, an active flavone isolated from Scutellaria baicalensis, can down-regulates the STAT3/Girdin/Akt signaling in HCC cells, and inhibits RANKL-mediated MAPK and NF-κB signaling pathway in osteoclasts. Scutellarin is active against HIV-1IIIB, HIV-1(74V) and HIV-1KM018 with EC50s of 26 μM, 253 μM and 136 μM, respectively.

   

5,7,8,2-Tetrahydroxyflavone 7-glucuronide

5,8-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

C21H18O12 (462.0798228)


   

Luteolin 4-glucuronide

Luteolin 4-glucuronide

C21H18O12 (462.0798228)


   

Scutellarein 5-glucuronide

5- (beta-D-Glucopyranuronosyloxy) -6,7-bishydroxy-2- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C21H18O12 (462.0798228)


   

5,6,7,2-Tetrahydroxyflavone 7-glucuronide

5,6,7,2-Tetrahydroxyflavone 7-glucuronide

C21H18O12 (462.0798228)


   

3-mono-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside

3-mono-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside

C21H18O12 (462.0798228)


   
   

Aureusidin 6-glucuronide

Aureusidin 6-glucuronide

C21H18O12 (462.0798228)


   

Demethylwedelolactone 3-O-glucoside

5,7,11,12-Tetrahydroxycoumestan 3-O-glucoside

C21H18O12 (462.0798228)


   

2S-Hydroxyisobromosphaerol

2S-Hydroxyisobromosphaerol

C20H32Br2O2 (462.0768892)


   

10-Hydroxykahukuene B

(+)-10-Hydroxykahukuene B

C20H32Br2O2 (462.0768892)


   

Isoscutellarein 8-glucuronide

Isoscutellarein 8-glucuronide

C21H18O12 (462.0798228)


   

Kaempferol 7-glucuronide

Kaempferol 7-glucuronide

C21H18O12 (462.0798228)


   

Kaempferol 5-glucuronide

3,7-Dihydroxy-2- (4-hydroxyphenyl) -4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid

C21H18O12 (462.0798228)


   

3-O-Methylellagic acid 3-O-alpha-L-rhamnopyranoside

3-O-Methylellagic acid 3-O-alpha-L-rhamnopyranoside

C21H18O12 (462.0798228)


   

Luteolin-3-O-glucuronide

luteolin 3-O-beta-D-glucuronide

C21H18O12 (462.0798228)


Luteolin-3-O-beta-D-glucuronide is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3'-position. Luteolin-3-O-beta-D-glucuronide is a luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 3'-position.

   

Luteolin 5-glucuronide

3,4,7-Trihydroxy-5- (beta-D-glucopyranuronosyloxy) flavone

C21H18O12 (462.0798228)


   

Kaempferol 3-glucuronide

4,5,7-Trihydroxyflavon-3-yl beta-D-glucopyranosiduronic acid

C21H18O12 (462.0798228)


Acquisition and generation of the data is financially supported in part by CREST/JST. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   

Luteolin 7-galacturonide

5,7,3,4-Tetrahydroxyflavone 7-galacturonide

C21H18O12 (462.0798228)


   

Luteolin 3-galacturonide

5,7,3,4-Tetrahydroxyflavone 3-galacturonide

C21H18O12 (462.0798228)


   
   

cefatrizine (stereochemistry undefined)

cefatrizine (stereochemistry undefined)

C18H18N6O5S2 (462.0780058)


   

4-O-methylellagic acid 3-alpha-rhamnoside|4-O-Methylellagic acid 3-??-rhamnoside

4-O-methylellagic acid 3-alpha-rhamnoside|4-O-Methylellagic acid 3-??-rhamnoside

C21H18O12 (462.0798228)


   

bromosphaerodiol|Bromsphaerodiol

bromosphaerodiol|Bromsphaerodiol

C20H32Br2O2 (462.0768892)


   
   
   

O11,15-cyclo-14-bromo-14,15-dihydrogiol-3,11-diol

O11,15-cyclo-14-bromo-14,15-dihydrogiol-3,11-diol

C20H32Br2O2 (462.0768892)


   

Di-Ac-3鈥樎?Chloro-2鈥樎? 5-dihydroxy-3, 7, 8-trimethoxyflavone

Di-Ac-3鈥樎?Chloro-2鈥樎? 5-dihydroxy-3, 7, 8-trimethoxyflavone

C22H19ClO9 (462.07175540000003)


   

12R-hydroxy-bromosphaerol|12R-hydroxybromosphaerol

12R-hydroxy-bromosphaerol|12R-hydroxybromosphaerol

C20H32Br2O2 (462.0768892)


   
   
   
   

3-O-Methylducheside A

3-O-Methylducheside A

C21H18O12 (462.0798228)


   

3-O-methylellagic acid 4-O-alpha-rhamnopyranoside

3-O-methylellagic acid 4-O-alpha-rhamnopyranoside

C21H18O12 (462.0798228)


   
   

3,4-di-O-methylellagic acid 3-O-beta-D-xylopyranoside

3,4-di-O-methylellagic acid 3-O-beta-D-xylopyranoside

C21H18O12 (462.0798228)


   

3,3-di-O-methyl ellagic acid-4-O-beta-D-xylopyranoside

3,3-di-O-methyl ellagic acid-4-O-beta-D-xylopyranoside

C21H18O12 (462.0798228)


   

luteolin 7-O-glucuronide|Luteolin-7-O-Glucuronid

luteolin 7-O-glucuronide|Luteolin-7-O-Glucuronid

C21H18O12 (462.0798228)


   

5,7,2,5-tetrahydroxyflavone 7-O-beta-D-glucuronopyranoside|5,7,2,5-Tetrahydroxyflavone 7-O-??-D-glucuronopyranoside

5,7,2,5-tetrahydroxyflavone 7-O-beta-D-glucuronopyranoside|5,7,2,5-Tetrahydroxyflavone 7-O-??-D-glucuronopyranoside

C21H18O12 (462.0798228)


   

3-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside

3-O-methylellagic acid 4-O-alpha-L-rhamnopyranoside

C21H18O12 (462.0798228)


   

Isoscutellarein 8-glucuronide

(2S,3S,4S,5R,6S)-6-(5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


Isoscutellarein 8-glucuronide is a natural product found in Theobroma grandiflorum, Lavandula coronopifolia, and other organisms with data available. See also: Theobroma grandiflorum seed (part of).

   

Kaempferol 3-O-β-D-glucuronide

Kaempferol 3-O-β-D-glucuronide

C21H18O12 (462.0798228)


Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   
   

Kaempferol-3-Glucuronide

Kaempferol 3-O-β-D-glucuronide

C21H18O12 (462.0798228)


Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   

Scutellarein-7-glucuronide

Scutellarein-7-glucuronide

C21H18O12 (462.0798228)


   

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

NCGC00169021-02!(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

NCGC00385624-01!(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

kaempferol-3-o-glucuronide

Kaempferol 3-O-β-D-glucuronide

C21H18O12 (462.0798228)


Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   

Kaempferol glucuronide

Kaempferol 3-O-β-D-glucuronide

C21H18O12 (462.0798228)


Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   

Kaempferol 3-O-glucuronide

Kaempferol 3-O-β-D-glucuronide

C21H18O12 (462.0798228)


A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 3-position. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2]. Kaempferol 3-O-β-D-glucuronide (Kaempferol-3-glucuronide), one conjugated kaempferol metabolite, has anti-inflammatory effect. Kaempferol 3-O-β-D-glucuronide significantly inhibits various pro-inflammatory mediators like IL-1β, NO, PGE2, and LTB4. Kaempferol 3-O-β-D-glucuronide upregulates the secretion of anti-inflammatory cytokine IL-10[1][2].

   

Luteolin 7-O-glucuronide

Luteolin 7-O-glucuronide

C21H18O12 (462.0798228)


Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively. Luteolin 7-O-glucuronide could inhibit Matrix Metalloproteinases (MMP) activities, with IC50s of 17.63, 7.99, 11.42, 12.85, 0.03 μM for MMP-1, MMP-3, MMP-8, MMP-9, MMP-13, respectively.

   

Cefatrizine

Cefatrizine

C18H18N6O5S2 (462.0780058)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

Kaempferol-3-O-glucuronoside

Kaempferol-3-O-glucuronoside

C21H18O12 (462.0798228)


Annotation level-1

   
   

Luteolin 7-glucuronide

Luteolin 7-glucuronide

C21H18O12 (462.0798228)


   

luteolin 3-glucuronide

luteolin 3-glucuronide

C21H18O12 (462.0798228)


   

scutellarein 7-glucuronide

scutellarein 7-glucuronide

C21H18O12 (462.0798228)


   
   

3-Methylellagic acid 8-rhamnoside

6,13-dihydroxy-7-methoxy-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

(2-Phenoxyethyl)(triphenyl)phosphonium bromide

(2-Phenoxyethyl)(triphenyl)phosphonium bromide

C26H24BrOP (462.0748044)


   
   

1,4-bis(bromomethyl)-2,5-dihexoxybenzene

1,4-bis(bromomethyl)-2,5-dihexoxybenzene

C20H32Br2O2 (462.0768892)


   

Rimonabant

Rimonabant

C22H21Cl3N4O (462.0780866)


A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063387 - Cannabinoid Receptor Antagonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D019440 - Anti-Obesity Agents Same as: D05731

   

Breviscapin

(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

C21H18O12 (462.0798228)


Scutellarin, an active flavone isolated from Scutellaria baicalensis, can down-regulates the STAT3/Girdin/Akt signaling in HCC cells, and inhibits RANKL-mediated MAPK and NF-κB signaling pathway in osteoclasts. Scutellarin is active against HIV-1IIIB, HIV-1(74V) and HIV-1KM018 with EC50s of 26 μM, 253 μM and 136 μM, respectively. Scutellarin, an active flavone isolated from Scutellaria baicalensis, can down-regulates the STAT3/Girdin/Akt signaling in HCC cells, and inhibits RANKL-mediated MAPK and NF-κB signaling pathway in osteoclasts. Scutellarin is active against HIV-1IIIB, HIV-1(74V) and HIV-1KM018 with EC50s of 26 μM, 253 μM and 136 μM, respectively. Scutellarin, an active flavone isolated from Scutellaria baicalensis, can down-regulates the STAT3/Girdin/Akt signaling in HCC cells, and inhibits RANKL-mediated MAPK and NF-κB signaling pathway in osteoclasts. Scutellarin is active against HIV-1IIIB, HIV-1(74V) and HIV-1KM018 with EC50s of 26 μM, 253 μM and 136 μM, respectively.

   

luteolin 5-O-glucuronide

luteolin 5-O-glucuronide

C21H18O12 (462.0798228)


A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 5-position.

   

kaempferol 7-O-glucuronide

kaempferol 7-O-glucuronide

C21H18O12 (462.0798228)


A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 7-position.

   

kaempferol 5-O-glucuronide

kaempferol 5-O-glucuronide

C21H18O12 (462.0798228)


A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 5-position.

   

Abt-702

Abt-702

C22H19BrN6O (462.0803624)


D004791 - Enzyme Inhibitors

   

3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C21H17ClF2N4O2S (462.0728756)


   

1-[4-[2-(4-Bromophenoxy)-1-oxoethyl]-1-piperazinyl]-2-(4-methoxyphenoxy)ethanone

1-[4-[2-(4-Bromophenoxy)-1-oxoethyl]-1-piperazinyl]-2-(4-methoxyphenoxy)ethanone

C21H23BrN2O5 (462.0790248)


   

N-[4-[(2,6-difluorophenyl)sulfonylamino]butyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide

N-[4-[(2,6-difluorophenyl)sulfonylamino]butyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide

C18H20F2N2O6S2 (462.07308040000004)


   

2-[(2,3,4-Trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester

2-[(2,3,4-Trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester

C18H17F3N2O7S (462.0708528)


   

6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one

6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-one

C23H18N4O3S2 (462.08202779999993)


   

(2S,3S,4S,5R)-6-[(7-Chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[(7-Chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H19ClN2O8 (462.08298840000003)


   

luteolin-7-glucuronide

luteolin-7-glucuronide

C21H18O12 (462.0798228)


   

4,4-Bis(methylphenylchlorosilyl)[1,1-biphenyl]

4,4-Bis(methylphenylchlorosilyl)[1,1-biphenyl]

C26H24Cl2Si2 (462.07935239999995)


   

Cefamandole

Cefamandole

C18H18N6O5S2 (462.0780058)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

6-hydroxy-7,14-dimethoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6-hydroxy-7,14-dimethoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

14-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

14-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

(1s,3s,4bs,5r,8s,8as,10as)-8-bromo-10a-(bromomethyl)-1-isopropyl-5,8a-dimethyl-2,3,4b,6,7,8,9,10-octahydro-1h-phenanthrene-3,5-diol

(1s,3s,4bs,5r,8s,8as,10as)-8-bromo-10a-(bromomethyl)-1-isopropyl-5,8a-dimethyl-2,3,4b,6,7,8,9,10-octahydro-1h-phenanthrene-3,5-diol

C20H32Br2O2 (462.0768892)


   

6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

(2s,3s,4s,5r,6s)-6-{[5,8-dihydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-6-{[5,8-dihydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H18O12 (462.0798228)


   

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylate

2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl 3,4,5,6-tetrahydroxyoxane-2-carboxylate

C21H18O12 (462.0798228)


   

(1r,3s,4'as,5's,7'r,8's,8'as)-3,5'-dibromo-2,2,4'a,8'-tetramethyl-6-methylidene-hexahydro-1'h-spiro[cyclohexane-1,2'-naphthalene]-7',8'-diol

(1r,3s,4'as,5's,7'r,8's,8'as)-3,5'-dibromo-2,2,4'a,8'-tetramethyl-6-methylidene-hexahydro-1'h-spiro[cyclohexane-1,2'-naphthalene]-7',8'-diol

C20H32Br2O2 (462.0768892)


   

7,13-dihydroxy-6-methoxy-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

7,13-dihydroxy-6-methoxy-14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

(1s,3s,4s,4as,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene-3,4-diol

(1s,3s,4s,4as,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene-3,4-diol

C20H32Br2O2 (462.0768892)


   

2-bromo-4-[(4e)-5-(5-bromo-2,6,6-trimethyloxan-2-yl)penta-2,4-dien-2-yl]-1-methylcyclohexan-1-ol

2-bromo-4-[(4e)-5-(5-bromo-2,6,6-trimethyloxan-2-yl)penta-2,4-dien-2-yl]-1-methylcyclohexan-1-ol

C20H32Br2O2 (462.0768892)


   

6-hydroxy-7,14-dimethoxy-13-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6-hydroxy-7,14-dimethoxy-13-{[(2r,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

2-bromo-4-[(3e)-4-(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)-2-hydroxybut-3-en-2-yl]-1-methylcyclohexan-1-ol

2-bromo-4-[(3e)-4-(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)-2-hydroxybut-3-en-2-yl]-1-methylcyclohexan-1-ol

C20H32Br2O2 (462.0768892)


   

(1s,3s)-3,5'-dibromo-2,2,4'a,8'-tetramethyl-6-methylidene-hexahydro-1'h-spiro[cyclohexane-1,2'-naphthalene]-7',8'-diol

(1s,3s)-3,5'-dibromo-2,2,4'a,8'-tetramethyl-6-methylidene-hexahydro-1'h-spiro[cyclohexane-1,2'-naphthalene]-7',8'-diol

C20H32Br2O2 (462.0768892)


   

13-hydroxy-6,14-dimethoxy-7-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

13-hydroxy-6,14-dimethoxy-7-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

6-hydroxy-7,14-dimethoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

6-hydroxy-7,14-dimethoxy-13-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)


   

14-{[(2r,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

14-{[(2r,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-6,13-dimethoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C21H18O12 (462.0798228)