Exact Mass: 442.0697194
Exact Mass Matches: 442.0697194
Found 152 metabolites which its exact mass value is equals to given mass value 442.0697194,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(-)-Epicatechin 3-O-gallate
(-)-epicatechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. It has a role as a metabolite, an EC 3.2.1.1 (alpha-amylase) inhibitor and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a catechin, a gallate ester and a polyphenol. It is functionally related to a (-)-epicatechin and a gallic acid. (-)-Epicatechin gallate is a natural product found in Scurrula atropurpurea, Acacia omalophylla, and other organisms with data available. Isolated from tea and numerous other plant subspecies inc. rhubarb and grapes. Epicatechin 3-gallate is found in many foods, some of which are cucumber, muskmelon, black raspberry, and cashew nut. A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. (-)-Epicatechin 3-O-gallate is found in almond. (-)-Epicatechin 3-O-gallate is isolated from tea and numerous other plant species including rhubarb and grapes. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
(-)-Catechin 3-O-gallate
(-)-catechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. It has a role as a metabolite. It is a gallate ester, a polyphenol and a member of flavans. It is functionally related to a (-)-catechin and a gallic acid. It is an enantiomer of a (+)-catechin-3-O-gallate. (-)-Catechin gallate is a natural product found in Rheum palmatum, Vitis vinifera, and other organisms with data available. A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. (-)-Catechin 3-O-gallate is a polyphenol compound found in foods of plant origin (PMID: 20428313) (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
7-Galloylcatechin
7-Galloylcatechin is found in herbs and spices. 7-Galloylcatechin is isolated from roots of great burnet (Sanguisorba officinalis). Isolated from roots of great burnet (Sanguisorba officinalis). Catechin 7-gallate is found in tea and herbs and spices.
[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl] 3,4,5-trihydroxybenzoate
3-Galloylcatechin
Constituent of Bergenia crassifolia (Siberian tea). Catechin 3-gallate is found in many foods, some of which are macadamia nut (m. tetraphylla), tea, avocado, and pecan nut. 3-Galloylcatechin is found in almond. 3-Galloylcatechin is a constituent of Bergenia crassifolia (Siberian tea) (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
Epicatechin-3-gallate
Indanthrene
Epicatechin-3-gallate
(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
(-)-Catechin gallate
(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
(+)-Catechin 4-O-gallate|4-O-(3,4,5-Trihydroxybenzoyl)-(2R,3S)-3,3,4,5,7-Pentahydroxyflavan
5,5-Dichlor-atranorin|5,5-dichloroatranorin
C19H16Cl2O8 (442.02221959999997)
2,2-diamino-4,4-dioxo-4,4-(2-amino-3-oxo-3H-phenoxazine-1,9-diyl)-bis-butyric acid
C20H18N4O8 (442.11245879999996)
5,7,8-trihydroxycoumarin-5-beta-(6-O-malonylglucopyranoside)
7-O-Galloyltricetiflavan
A gallate ester obtained by the formal condensation of gallic acid with the hydroxy group at position 7 of 3,4,5,5,7-pentahydroxyflavan. Isolated from the leaves of Pithecellobium clypearia, it exhibits antiviral activity.
iotrochamide B|N-(Z)-2-methoxycinnamoyl-L-6-bromotryptophan
C21H19BrN2O4 (442.05281140000005)
2-amino-5-[[1-(carboxymethylamino)-3-[(4-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
catechin gallate
(-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes. (-)-Catechin gallate is a minor constituent in green tea catechins. (-)-Catechin gallate inhibits the activity of COX-1 and COX-2 enzymes.
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
(-)-Epicatechin gallate
(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
epicatechin gallate
(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
epicatechin monogallate
(-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000848607]
[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate [IIN-based: Match]
Cys Cys Cys Asp
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Cys Cys Met Ser
Cys Cys Ser Met
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Cys Met Cys Ser
Cys Met Ser Cys
Cys Ser Cys Met
Cys Ser Met Cys
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Icosyl palmitate
2-(1,3-Dioxolan-2-yl)ethyltriphenylphosphonium bromide
7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride
(4-methoxyphenyl)-diphenylsulfanium,trifluoromethanesulfonate
6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium chloride
(1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium,bromide
Sepantronium bromide
C20H19BrN4O3 (442.06404440000006)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
PD173955
5-chloro-2-(methylsulfinoimidoyl)-3-(trifluoromethyl)pyridine 2,4,6-trimethylbenzenesulfonate
C16H18ClF3N2O3S2 (442.03994240000003)
Telenzepine dihydrochloride
Telenzepine dihydrochloride is a selective and orally active muscarinic M1 receptor antagonist with a Ki of 0.94 nM. Telenzepine dihydrochloride inhibits gastric acid secretion and has antiulcer effects[1][2][3].
lithium 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]anthracene-2-sulphonate
C23H19LiN2O5S (442.11746740000007)
MK-0752
C21H21ClF2O4S (442.0817080000001)
D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1,2-e]azepin-2-yl]trifluoromethanesulfonamide
(3aR,4R,5R,6aS)- 5-(benzoyloxy)-4-[(1E,3S)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]hexahydro-2H-Cyclopenta[b]furan-2-one
Trichlorotris(ethylenediamine)rhodium(III) hydrate
C6H30Cl3N6O3Rh (442.04998900000004)
[2-(1-methylsulfonyloxynaphthalen-2-yl)naphthalen-1-yl] methanesulfonate
(5R,6S)-4-NITROBENZYL 3-((2-AMINOETHYL)THIO)-6-((R)-1-HYDROXYETHYL)-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE HYDROCHLORIDE
C18H21ClN3O6S- (442.0839536000001)
1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid - 1,1-methy lenebis(4-isocyanatobenzene) (1:1)
2-(Ethoxycarbonyl)ethyltriphenylphosphonium bromide
5-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole
C19H12F6N4O2 (442.08644039999996)
Verdinexor
C18H12F6N6O (442.09767339999996)
C254 - Anti-Infective Agent > C281 - Antiviral Agent
Aminophosphonic acid-guanylate ester
C10H16N6O10P2 (442.04031359999993)
(-)-Epicatechin-5-gallate
A gallate ester resulting from the formal condensation of gallic acid with 5-hydroxy group of (-)-epicatechin. Isolated from Orostachys japonica, it acts as an inhibitor of the enzyme mu-calpain (EC 3.4.22.52).
N-{2,4-Difluoro-3-[(5-Pyridin-3-Yl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)carbonyl]phenyl}ethanesulfonamide
C21H16F2N4O3S (442.09111299999995)
2-[[4-(2-Carboxyethyl)-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;iron(4+)
863-03-6
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
E3893_SIAL
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM. (-)-Epicatechin gallate (Epicatechin gallate) inhibits cyclooxygenase-1 (COX-1) with an IC50 of 7.5 μM.
3-(2-chlorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
C21H19ClN4O3S (442.0866334000001)
2-[(chloroacetyl)(4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide
(6-Bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone
2-[(chloroacetyl)(3-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide
2-Amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
C20H19BrN4OS (442.04628640000004)
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
4-(difluoromethoxy)-N-[5-[[4-(difluoromethylthio)phenyl]methyl]-2-thiazolyl]benzamide
1-Butyl-2-[(5-phenyl-2-oxazolyl)methylthio]-5-benzimidazolesulfonamide
3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamide
1-(4-Chlorophenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
C21H19ClN4O3S (442.0866334000001)
N-[3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide
C21H19BrN2O4 (442.05281140000005)
[1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
2-[2-chloro-4-(methylsulfonyl)-3-{[(2R)-tetrahydrofuran-2-ylmethoxy]methyl}benzoyl]cyclohexane-1,3-dione
C20H23ClO7S (442.08529580000004)
(1R,5S)-6-(4-chlorophenyl)sulfonyl-7-[4-(3-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-[2-chloro-4-(methylsulfonyl)-3-{[(2S)-tetrahydrofuran-2-ylmethoxy]methyl}benzoyl]cyclohexane-1,3-dione
C20H23ClO7S (442.08529580000004)
Methyl 2-[(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
6-[6-[(2-Carboxyacetyl)oxymethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C15H22O15 (442.09586620000005)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (3R)-3-isocyanobutanoate
epicatechin-3-gallate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents
(+)-epicatechin-3-O-gallate
A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-epicatechin.
(+)-catechin-3-O-gallate
A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin.
3- o -galloyl- ent -catechin
{"Ingredient_id": "HBIN009326","Ingredient_name": "3- o -galloyl- ent -catechin","Alias": "NA","Ingredient_formula": "C22H18O10","Ingredient_Smile": "NA","Ingredient_weight": "442.378","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8512","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 2,3,4-trihydroxybenzoate
13-bromo-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one
7,7'-dihydroxy-6,6',8,8'-tetramethoxy-[4,4'-bichromene]-2,2'-dione
1,11-bis(methylsulfanyl)-2,12-dioxo-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-6,8,14,16,18-pentaen-5-yl acetate
2-{3,4-dihydroxy-2,5-bis[(2-hydroxyethyl)sulfanyl]phenyl}-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2r)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-5-yl 3,4,5-trihydroxybenzoate
(2r,3r)-2-{3,4-dihydroxy-2,5-bis[(2-hydroxyethyl)sulfanyl]phenyl}-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2s)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate
2-hydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl 3,4,5-trihydroxybenzoate
2,5-bis(4-hydroxyphenyl)-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl benzoate
methyl 3-chloro-4-(3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoyloxy)-6-hydroxy-2,5-dimethylbenzoate
C19H16Cl2O8 (442.02221959999997)