Exact Mass: 402.082
Exact Mass Matches: 402.082
Found 471 metabolites which its exact mass value is equals to given mass value 402.082,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nobiletin
Nobiletin is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3 and 4 respectively. It has a role as a plant metabolite and an antineoplastic agent. It is functionally related to a flavone. Nobiletin is a natural product found in Citrus tankan, Citrus keraji, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from peel of king orange (Citrus nobilis), seville orange (Citrus aurantium) and other Citrus subspecies, and the round kumquat (Fortunella japonica). Nobiletin is found in many foods, some of which are sweet bay, citrus, lemon, and grapefruit. Nobiletin is found in citrus. Nobiletin is isolated from peel of king orange (Citrus nobilis), seville orange (Citrus aurantium) and other Citrus species, and the round kumquat (Fortunella japonica A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3 and 4 respectively. D020011 - Protective Agents > D000975 - Antioxidants Nobiletin is a poly-methoxylated flavone from the citrus peel that improves memory loss. Nobiletin is a retinoid acid receptor-related orphan receptors (RORs) agonist. Nobiletin can reduce reactive oxygen species (ROS) levels in differentiated C2C12 myotubes and has anti-inflammation and anti-cancer properties, including anti-angiogenesis, anti-proliferation, anti-metastasis and induced apoptosis[1][2][3][4]. Nobiletin is a poly-methoxylated flavone from the citrus peel that improves memory loss. Nobiletin is a retinoid acid receptor-related orphan receptors (RORs) agonist. Nobiletin can reduce reactive oxygen species (ROS) levels in differentiated C2C12 myotubes and has anti-inflammation and anti-cancer properties, including anti-angiogenesis, anti-proliferation, anti-metastasis and induced apoptosis[1][2][3][4].
4'-Phosphopantothenoylcysteine
4-Phosphopantothenoylcysteine, also known as pantothenoylcysteine 4-phosphate, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. 4-Phosphopantothenoylcysteine is an extremely weak basic (essentially neutral) compound (based on its pKa). Within humans, 4-phosphopantothenoylcysteine participates in a number of enzymatic reactions. In particular, cytidine monophosphate and 4-phosphopantothenoylcysteine can be biosynthesized from cytidine triphosphate, D-4-phosphopantothenate, and L-cysteine through the action of the enzyme phosphopantothenate--cysteine ligase. 4-Phosphopantothenoylcysteine (PPC) is an intermediate in the biosynthetic machinery (pathway) that converts pantothenate (vitamin B5) into coenzyme A (CoA). The enzyme phosphopantothenoylcysteine decarboxylase catalyzes the decarboxylation of PPC into 4-phosphopantetheine. Coenzyme A is the principal acyl carrier and is required for many synthetic and degradative reactions in intermediary metabolism, and is an essential cofactor in all living systems (PMID: 15450493, 16371361, 14501115). 4-Phosphopantothenoylcysteine (PPC) is an intermediate in the biosynthetic machinery (pathway) that converts pantothenate (vitamin B5) into coenzyme A (CoA). The enzyme Phosphopantothenoylcysteine decarboxylase catalyzes the decarboxylation of PPC to 4-phosphopantetheine. Coenzyme A is the principal acyl carrier and is required for many synthetic and degradative reactions in intermediary metabolism, and is an essential cofactor in all living systems. (PMID: 15450493, 16371361, 14501115) [HMDB]
1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone
2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
Versiconol acetate
An acetate ester that is the O-acetyl derivative of versiconol. An intermediate in the biosynthesis of aflatoxin.
3-(beta-D-glucopyranosyl)-2-hydroxy-beta-oxodihydrochalcone
Hexamethylquercetagetin
3-methoxysinensetin, also known as 356734-hexamethoxyflavone, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 3-methoxysinensetin is considered to be a flavonoid lipid molecule. 3-methoxysinensetin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-methoxysinensetin can be found in grapefruit and sweet orange, which makes 3-methoxysinensetin a potential biomarker for the consumption of these food products. 2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-1-benzopyran-4-one is a member of flavonoids and an ether. Hexamethylquercetagetin is a natural product found in Pulicaria arabica, Chiliadenus montanus, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Hexamethylquercetagetin is found in citrus. Hexamethylquercetagetin is isolated from peel of Citrus specie D004791 - Enzyme Inhibitors
3,3',4',5,7,8-Hexamethoxyflavone
3,3,4,5,7,8-Hexamethoxyflavone is an ether and a member of flavonoids. Gossypetin hexamethyl ether is a natural product found in Citrus medica, Melicope triphylla, and other organisms with data available. 3,3,4,5,7,8-Hexamethoxyflavone is found in citrus. 3,3,4,5,7,8-Hexamethoxyflavone is isolated from Valencia orange peel (Citrus sinensis) and shepherds purse (Capsella bursa-pastoris). Isolated from Valencia orange peel (Citrus sinensis) and shepherds purse (Capsella bursa-pastoris). Hexamethylgossypetin is found in sweet orange and citrus.
Shoyuflavone B
Shoyuflavone B is found in herbs and spices. Shoyuflavone B is isolated from fermented soy sauce. Shoyuflavone B is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone B is found in herbs and spices.
Chrysaloin
Chrysaloin is found in herbs and spices. Chrysaloin is isolated from Rumex vesicarius (bladder dock). Isolated from Rumex vesicarius (bladder dock). Chrysaloin is found in herbs and spices.
3,3',4',5,6,8-Hexamethoxyflavone
3,3,4,5,6,8-Hexamethoxyflavone is found in citrus. 3,3,4,5,6,8-Hexamethoxyflavone is a constituent of Citrus reticulata (mandarin) Constituent of Citrus reticulata (mandarin). 3,3,4,5,6,8-Hexamethoxyflavone is found in citrus.
5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone
5-Hydroxy-3,3,7,8-tetramethoxy-4,5-methylenedioxyflavone is found in citrus. 5-Hydroxy-3,3,7,8-tetramethoxy-4,5-methylenedioxyflavone is a constituent of the dried fruit of Citrus reticulata (mandarin). Constituent of the dried fruit of Citrus reticulata (mandarin). 5-Hydroxy-3,3,7,8-tetramethoxy-4,5-methylenedioxyflavone is found in citrus.
4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide
4-Hydroxy-5-(3,4-dihydroxyphenyl)-valeric acid-O-glucuronide is a conjugate of 4-hydroxy-5-(3,4-dihydroxyphenyl)-valeric acid-O-glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide
4-Hydroxy-5-(3,5-dihydroxyphenyl)-valeric acid-O-glucuronide is a conjugate of 4-hydroxy-5-(3,5-dihydroxyphenyl)-valeric acid and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
6-[4-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[4-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
6-[5-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[5-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-(3,4-dihydroxyphenyl)-4-hydroxypentanoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid glucuronide
N-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
(Z)-6-[(2S,4S,5R)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
Pritelivir
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
Roflumilast
R - Respiratory system > R03 - Drugs for obstructive airway diseases C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Psoberan
Psoberan can be found in fig, which makes psoberan a potential biomarker for the consumption of this food product. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Apigenin 7-arabinoside
Apigenin 7-arabinoside 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-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-arabinoside can be found in chicory, which makes apigenin 7-arabinoside a potential biomarker for the consumption of this food product.
8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Calomelanol I
Calomelanol H
beta-isorhodomycinone
5,2,5-Trihydroxy-3,7,8-trimethoxyflavone 2-acetate
5-Demethylmelibentin
2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
7-Hydroxy-5,6,8,3-tetramethoxy-4,5-methylenedioxyflavone
Bannamurpanisin
Bannamurpanisin is a natural product found in Neoraputia alba and Murraya paniculata with data available.
Nobiletin
D020011 - Protective Agents > D000975 - Antioxidants Nobiletin is a poly-methoxylated flavone from the citrus peel that improves memory loss. Nobiletin is a retinoid acid receptor-related orphan receptors (RORs) agonist. Nobiletin can reduce reactive oxygen species (ROS) levels in differentiated C2C12 myotubes and has anti-inflammation and anti-cancer properties, including anti-angiogenesis, anti-proliferation, anti-metastasis and induced apoptosis[1][2][3][4]. Nobiletin is a poly-methoxylated flavone from the citrus peel that improves memory loss. Nobiletin is a retinoid acid receptor-related orphan receptors (RORs) agonist. Nobiletin can reduce reactive oxygen species (ROS) levels in differentiated C2C12 myotubes and has anti-inflammation and anti-cancer properties, including anti-angiogenesis, anti-proliferation, anti-metastasis and induced apoptosis[1][2][3][4].
Ethyl 2-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-[2-(trifluoromethyl)anilino]acrylate
rel-(2E)-3-[(2R,3S)-2,3-dihydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxybenzofuran-5-yl]prop-2-enoic acid|rel-(7R,7E,8S)-4,9-dihydroxy-3,3,5-trimethoxy-4,7-epoxy-8,5-neolign-7-en-9-oic acid
4,6-Diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-10-methyl ester
bilagrewin|rel-3-[3S-(4-hydroxy-3,5-dimethoxyphenyl)-2R-hydroxymethyl-8-methoxy-2,3-dihydrobenzo[1,4]dioxin-6-yl]propenal
3,4,9,10-Tetra-Me ether,Ac-3,4,8,9,10-Pentahydroxypterocarpan
3,7,8-Tri-Me ether,2-Ac-2,3,5,5,7,8-Hexahydroxyflavone|5,5-dihydroxy-3,7,8-trimethoxy-2-acetoxyflavone
9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 2,3-dimethyloxirane-2-carboxylate
2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-9-methyl ester
(3aS,4S,8bS,E)-8,8-dimethyl-3-(((R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yloxy)methylene)-2,7-dioxo-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-4-yl acetate|7-oxoorobanchyl acetate
1-(alpha-Hydroxybenzyl)-3,7-dihydroxy-8-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid 2,1-lactone
3,3-Ethylidenebis(2-methyl-5-hydroxy-1,4-naphthoquinone)
Hexa-Me ether-1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone
3,4,5,5,7-pentahydroxy-3-methoxy-6-(3-methyl-2-butenyl) flavanone
3,6-Ethylidenebis(2-methyl-5-hydroxy-1,4-naphthoquinone)
2beta-syringyl-4-oxo-6beta-guaiacyl-3,7-dioxabicyclo[3.3.0]octane|mayuenolide
4,6-Diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
3,4-demethylenepodophyllotoxin|6,7-O,O-demethylenepodophyllotoxin|6,7-O-Demethylen-podophyllotoxin
7,8-dihydro-7-(3-methoxy-4,5-dihydroxyphenyl)-8-(hydroxymethyl)-6-methoxy-2H-pyrano[2,3-f]-7,8-benzodioxin-2-one|malloapelin C
1-O,2-O-[(1S,2S)-1-(3-acetyl-2,4,6-trihydroxyphenyl)-3-hydroxypropane-1,2-diyl]-beta-D-glucopyranose|1-O,2-O-[(1S,2S)-1-(3-acetyl-2,4,6-trihydroxyphenyl)-3-hydroxypropane-1,3-diyl]-beta-D-glucopyranose|tomentoside II
(-)-rel-(1R,2S)-1-(3-hydroxy-4,5-dimethoxyphenyl)-2-methyl-3-oxobutyl 1,3-benzodioxole-5-carboxylate|(-)-rel-(7R,8S)-5-hydroxy-3,4-dimethoxy-3,4-(methylenedioxy)-7,7-epoxy-7,8-secolignan-7,8-dione|marlignan B|marphenol B
4-Methoxy-6-(3-methyl-2,3-diacetoxybutyl)-7H-furo[3,2-g][1]benzopyran-7-one
6-C-alpha-arabinofuranosylapigenin|apigenin 6-C-alpha-arabinofuranoside
1-hydroxy-2-(3,4-methylenedioxy)phenoxy-6-(2-hydroxy-3,4-methylenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octane|phrymarolin B|phrymarolin III|rel-(1R,3aR,4S,6aS)-4-(1,3-benzodioxol-5-yloxy)dihydro-1-(4-hydroxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-ol
2-(2,5-Dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
(7S,8S,8aS)-7-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-6-oxo-6,7,8,8a-tetrahydro-1H-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate|pinophilin B
2-(2,5-dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one|3,5,7,8,2,5-hexamethoxyflavone
2,5-dihydroxy-4-methoxyphenanthrene 2-O-beta-D-glucopyranoside|denneanoside A
3,4,4,5-tetrahydroxy-3-methoxypulvinic acid|retiboletic acid
graminone B
A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one substituted by a 3-hydroxy-4,5-dimethoxyphenyl at position 3 and a 3-hydroxy-4,5-dimethoxyphenyl group at position 5. Isolated from the rhizomes of Imperata cylindrica, it exhibits vasodilative activity.
(2S)-8-C-beta-glucopyranosyl-7-hydroxyflavanone|schoepfiajasmin E
(R)-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(3,4-dihydroxy-phenyl)-1-propoxycarbonyl ethyl ester|n-propyl rosmarinate
2,6-dihydroxyanthraquinone 2-beta-D-glucopyranoside
8alpha-(2-methylacryloyloxy)-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate
(E)-resveratrol 3-(4-acetyl)-O-beta-D-xylopyranoside
Integrastatin B
An organic heterotetracyclic compound that is 11,12-dihydro-6H-6,12-epoxydibenzo[b,f]oxocine substituted by hydroxy groups at positions 4, 7 and 8, methoxy groups at positions 3 and 9, methyl groups at positions 6 and 12, an oxo group at position 11 and a formyl group at position 1. It is isolated as a racemate from Ascochyta and exhibits inhibitory activity against HIV-1 integrase.
3,4,5,5-O-Tetramethyl-3,4-O,O-methylidenecoruleoellagic acid d
6-hydroxy-2-(4-hydroxybenzyl)benzofuran-7-C-beta-D-glucopyranoside|6-hydroxy-2-p-hydroxybenzylbenzofuran-7-C-beta-D-glucopyranoside|pteroside
3,4,5,5,6,7-HEXAMETHOXYFLAVONE
5,6,7,3,4,5-Hexamethoxyflavone is a natural product found in Ficus maxima, Murraya paniculata, and other organisms with data available.
Roflumilast
R - Respiratory system > R03 - Drugs for obstructive airway diseases C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
4-Methoxy-benzoic acid 4-(4-methoxy-phenyl)-2-oxo-2H-chromen-7-yl ester
(2S)-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
C21H19ClO6_[5-(Benzoyloxy)-3-chloro-4,6-dihydroxy-1-cyclohexen-1-yl]methyl benzoate
(5-benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate
(2S)-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
(5-benzoyloxy-2-chloro-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate
Shoyuflavone B
Chrysaloin
5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone
Bis(1-propyl-3-methylcyclopentadienyl)zirconium dichloride
bis(tert-butylcyclopentadienyl)zirconium dichloride
phenethicillin potassium
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Methicillin SodiuM
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2-Biphenylyl diphenyl phosphate suppliers in China
5-O-CARBOMETHOXY-1,2-O-ISO-PROPYLIDENE-3-O-(P-TOLYL-SULFONYL)-ALPHA-D-XYLOFURANOSE
(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide 4-methylbenzenesulfonate
4-[(4-Chlorophenyl) phenylmethyl]-piperidine dihydrochloride
5-(2-BENZOTHIAZOLYL)-1-(4-NITROPHENYL)-3-PHENYLFORMAZAN
1-(2-BROMOPHENYL)-5-ETHYL-3,4-DIPHENYL-1H-PYRAZOLE
2,5-diethoxy-4-(p-tolylthio)benzenediazonium tetrafluoroborate
disodium,5-[2-(1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonan-5-yloxy)ethoxy]-1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonane
4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide
(2S,4R)-2-METHYL 1-(4-NITROBENZYL) 4-((METHYLSULFONYL)OXY)PYRROLIDINE-1,2-DICARBOXYLATE
2-ACETAMIDO-2-DEOXY-D-GLUCONHYDROXIMO-1,5-LACTONE 1-N,3,4,6-TETRAACETATE
3-Deoxy-3-fluoro-beta-D-ribofuranose 1-acetate 2,5-dibenzoate
Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloro-3-[4-(2-methoxyethyl)-1-piperazinyl]phenyl ester
4-(Cyclopropylmethoxy)-3-(difluoromethoxy) Roflumilast
1,2,3,5-tetramethylcyclopenta-1,3-diene,zirconium(4+),dichloride
(S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)sulfonyl)methyl)-5-methylimidazolidine-2,4-dione
S-3-(4-Fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
VARESPLADIB sodium
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic Varespladib sodium (LY315920 sodium) is a potent and selective group IIA, secretory phospholipase A2 (sPLA2) inhibitor with an IC50 of 9 nM. Varespladib sodium exhibits the significant inhibitory effect on sPLA2 activity in serum from various species including rat, rabbit, guinea pig and human with IC50s of 8.1 nM, 5.0 nM, 3.2 nM and 6.2 nM, respectively[1].
5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide
2-Methoxyethyl 5-{[5-(methoxycarbonyl)-2-methylfuran-3-yl]methoxy}-2-methyl-1-benzofuran-3-carboxylate
4-[[[2-(4-Methoxyphenyl)-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
N-((E)-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)isonicotinohydrazide
2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 4-methoxybenzoate
(1S,6alpha)-1-(Benzoyloxy)methyl-6-chloro-4-cyclohexene-1beta,2beta,3alpha-triol 3-benzoate
5-(2-Ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1H,3H,5H)-trione
6-{4-[Hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid
(2s)-N-[(3s)-1-(2-Amino-2-Oxoethyl)-2-Oxo-1,2,3,4-Tetrahydroquinolin-3-Yl]-2-Chloro-2h-Thieno[2,3-B]pyrrole-5-Carboxamide
5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
propanoyl-AMP(1-)
An organophosphate oxoanion obtained by removal of the proton from the phosphate group of propanoyl-AMP; major species at pH 7.3
L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-
1-hydroxy-2-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyanthracene-9,10-dione
(2R,3R,4S)-2-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(E)-6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
4-Hydroxy-5-(3,5-dihydroxyphenyl)-valeric acid glucuronide
variecolorquinone A
An dihydroxyanthraquinone that is 1,6-dihydroxy-9,10-anthraquinone which is substituted by a methoxy group at position 8, a methyl group at position 3 and a [(2S)-2,3-dihydroxypropoxy]carbonyl group at position 2. Isolated from the fungus Aspergillus variecolor, it exhibits cytotoxic activity.
4-Chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide
3-[[[2-(3-Methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide
2-[[Cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester
2-[[5-[(2-Chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl (4-chlorophenoxy)sulfonylcarbamate
4-[[[4-(2-Furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
4-[[2-[(4-Methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
2-(butylamino)-3-(3-chlorophenyl)-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide
4-[(1-Methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-quinazolinylthio)acetamide
(17S)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
6-[5-(3,4-Dihydroxyphenyl)-4-hydroxypentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
4,5-Dioxo-2-phenyl-1-(4-sulfamoylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester
(1S,9S)-6,11,12-Trihydroxy-5,13-dimethoxy-1,9-dimethyl-16-oxo-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene-3-carbaldehyde
18-Bromo-4,10-diaza-15-azoniahexacyclo[14.3.1.15,9.01,6.07,15.08,12]henicosa-5,7(15),8(12),9(21),10,18-hexaene-17,20,21-triol
N-[(R)-4-phosphopantothenoyl]-L-cysteine
The N-[(R)-4-phosphopantothenoyl] derivative of L-cysteine.
(3R,4R)-3-Epoxyangeloyloxy-4-acetoxy-3,4-dihydroseselin
(3S)-versiconol acetate
An optically active form of versiconol acetate having 3S-configuration.
ochratoxin A(1-)
A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
4-Hydroxy-5-(3,4-dihydroxyphenyl)-valeric acid-O-glucuronide
4-Hydroxy-5-(3,5-dihydroxyphenyl)-valeric acid-O-glucuronide
6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid
5-Hydroxy-3,3,7,8-tetramethoxy-4,5-methylenedioxyflavone
6-[4-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[5-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Mollicellin J
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.
N-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester
gluconapoleiferin(1-)
A glucosinolate that is glucobrassicanapin which has been hydroxylated at the 3-position of the hex-5-enimidoyl chain.
7-hydroxyflavanone 7-O-beta-D-glucoside
A flavanone 7-O-beta-D-glucoside that consists of 7-hydroxyflavanone attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
A-867744
A-867744 is a highly potent and selective type II positive allosteric modulator (PAM) of the alpha7 nicotinic acetylcholine receptors (nAChR) with an EC50 of 1.0 μM[1].
Fuzapladib (sodium)
Fuzapladib (IS-741) sodium, an orally active leukocyte-function-associated antigen type 1 (LFA-1) activation inhibitor, is a leukocyte adhesion molecule. Fuzapladib sodium is also a phospholipase A2 (PLA2) inhibitor. Fuzapladib sodium exerts anti-inflammatory effects by inhibiting leukocyte migration into the inflammatory site[1][2].
GKT136901 (hydrochloride)
GKT136901 hydrochloride is a potent, selective and orally active inhibitor of NADPH oxidase (NOX1/4), with Kis of 160 and 165 nM, respectively. GKT136901 hydrochloride is also a selective and direct scavenger of peroxynitrite. GKT136901 hydrochloride can be used for the research of diabetic nephropathy, stroke, and neurodegeneration. GKT136901 hydrochloride also has anti-inflammatory activity[1][2][3].
PEPA
PEPA is an allosteric modulator of AMPA receptors; binds to the GluA2o and GluA3o LBDs and can be utilized as an indicator of AMPA receptor heterogeneity. IC50 value: Target: AMPAR modulator in vitro: PEPA dose-dependently potentiated AMPA-induced increase of [Ca2+]i. In 90\% (72 out of 80) of the cells in which cyclothiazide acts, PEPA potentiated the increased [Ca2+]i induced by AMPA with pronounced cell-to-cell variation in rat hippocampal cultures [1]. PEPA bound to the binding domains of the GluA2 and GluA3 flop isoforms of AMPA receptors [2]. coapplication of AMPA with PEPA protected hippocampal CA1 neurons from brain ischemia-induced death. Coapplication of AMPA with PEPA could prevent downregulated expression of GluR2 subunit caused by ischemia and increase BDNF expression via Lyn-ERK1/2-CREB signaling [4]. in vivo: PEPA (3, 10, 30mg/kg body weight) or vehicle was intraperitoneally administered into stressed mice once before the first extinction session. The significant decrease of the freezing response in the extinction sessions was only seen in the 30mg/kg PEPA-administered stressed mice, compared with vehicle-administered stressed mice [3].
PNU-177864
PNU-177864 is a potent, selective and orally active dopamine D3 receptor antagonist. PNU-177864 is structurally consistent with a cationic amphiphilic agent (CAD) and induces phospholipidosis in vivo. PNU-177864 antischizophrenic activity[1][2].
Pomaglumetad methionil (hydrochloride)
Pomaglumetad methionil hydrochloride (LY2140023 hydrochloride) is an orally active, methionine prodrug of the selective mGlu2/3 receptor agonist LY404039. Pomaglumetad methionil hydrochloride has the potential for schizophrenia research[1][2].
VU-1545
VU-1545 is a metabotropic glutamate receptor 5 positive allosteric modulator (mGluR5 PAM) with a Ki of 156 nM and an EC50 of 9.6 nM[1].
1-(2-hydroxyphenyl)-3-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one
(9s,10s)-9-(acetyloxy)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl (2r,3r)-2,3-dimethyloxirane-2-carboxylate
3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1,8-dihydroxy-6-methylanthracene-9,10-dione
5,6-dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)chromen-4-one
13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
2-benzyl-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2-hydroxybutanedioic acid
(2s,3s)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
13-hydroxy-4-(hydroxymethyl)-5,17-dimethoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
11-hydroxy-5-methyl-2-[(2r,3s)-2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl]-1-oxatetraphene-4,7,12-trione
(3s,4s)-3-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
(2r)-1-[(1s,2s)-2-[(s)-hydroxy[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
5,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
methyl 15,17-dihydroxy-7-methoxy-5,16-dimethyl-13-oxo-2,10,12-trioxatetracyclo[9.6.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4-carboxylate
methyl 4-(3-formyl-2,4-dihydroxy-5,6-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
5-hydroxy-6-[1-(8-hydroxy-3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]-2-methylnaphthalene-1,4-dione
2-{[2-({2-amino-1-hydroxy-4-[methyl(oxo)(phosphonoimino)-λ⁶-sulfanyl]butylidene}amino)-1-hydroxypropylidene]amino}propanoic acid
3,5,7-trimethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
(2s,3r,4r,5s,6r)-2-{6-hydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(2e)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl 2-methylprop-2-enoate
(10'r,12'r,15'r)-1',6',9',10'-tetrahydroxy-12'-methyl-3h-13'-oxaspiro[pyran-2,16'-tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadecane]-2',4',6'-triene-6,8',14'-trione
1-[(1s,2s)-2-[(s)-hydroxy[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl]cyclopropyl]-1-oxopropan-2-yl (2z)-3-(3,4-dihydroxyphenyl)prop-2-enoate
methyl 4-(3-formyl-4,6-dihydroxy-2,5-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
(1r,2s)-1-(3-hydroxy-4,5-dimethoxyphenyl)-2-methyl-3-oxobutyl 2h-1,3-benzodioxole-5-carboxylate
methyl (11s)-15,17-dihydroxy-7-methoxy-5,16-dimethyl-13-oxo-2,10,12-trioxatetracyclo[9.6.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4-carboxylate
(2r,3r)-2-(2,5-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(7s,8s,8as)-8-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
methyl (1s,4as,7s,7as)-7-formyl-7-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
3-[2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)-5-methoxyphenyl]-5,7-dihydroxychromen-4-one
methyl 7-(furan-3-yl)-9-methyl-4,14-dioxo-3,6,13-trioxapentacyclo[10.2.2.1²,⁵.0¹,¹⁰.0⁵,⁹]heptadecane-15-carboxylate
(2r,3s)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (2e)-3-phenylprop-2-enoate
3,4-methylenedioxy-3',4'-o-dimethyl-5,5'-di-methoxyellagicacid
{"Ingredient_id": "HBIN007496","Ingredient_name": "3,4-methylenedioxy-3',4'-o-dimethyl-5,5'-di-methoxyellagicacid","Alias": "NA","Ingredient_formula": "C19H14O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14358","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
