Exact Mass: 402.0861838
Exact Mass Matches: 402.0861838
Found 358 metabolites which its exact mass value is equals to given mass value 402.0861838,
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
C19H14O10 (402.05869440000004)
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
C17H22O11 (402.11620619999997)
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
C17H22O11 (402.11620619999997)
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
C17H22O11 (402.11620619999997)
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
C17H22O11 (402.11620619999997)
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
C17H22O11 (402.11620619999997)
(Z)-6-[(2S,4S,5R)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
C22H23ClO5 (402.12339380000003)
Pritelivir
C18H18N4O3S2 (402.08202780000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
Rafabegron
C21H23ClN2O4 (402.13462680000004)
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
C17H17F3N2O4S (402.08610780000004)
Apodanthoside (Not validated)
C17H22O11 (402.11620619999997)
Annotation level-3
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
C19H14O10 (402.05869440000004)
2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-10-methyl ester
C19H14O10 (402.05869440000004)
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
C19H14O10 (402.05869440000004)
(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
C19H14O10 (402.05869440000004)
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
C17H22O11 (402.11620619999997)
(-)-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
C19H14O10 (402.05869440000004)
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
C19H14O10 (402.05869440000004)
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.
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
C21H19ClO6 (402.08701040000005)
(5-benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate
C21H19ClO6 (402.08701040000005)
(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
C21H19ClO6 (402.08701040000005)
Cys Gly His Ser
Cys Gly Ser His
Cys His Gly Ser
Cys His Ser Gly
Cys Ser Gly His
Cys Ser His Gly
Gly Cys His Ser
Gly Cys Ser His
Gly His Cys Ser
Gly His Ser Cys
Gly Ser Cys His
Gly Ser His Cys
His Cys Gly Ser
His Cys Ser Gly
His Gly Cys Ser
His Gly Ser Cys
His Ser Cys Gly
His Ser Gly Cys
Ser Cys Gly His
Ser Cys His Gly
Ser Gly Cys His
Ser Gly His Cys
Ser His Cys Gly
Ser His Gly Cys
Shoyuflavone B
C19H14O10 (402.05869440000004)
Chrysaloin
5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone
(2S,4S)-METHYL 4-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)PYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
C21H23ClN2O4 (402.13462680000004)
Bis(1-propyl-3-methylcyclopentadienyl)zirconium dichloride
bis(tert-butylcyclopentadienyl)zirconium dichloride
phenethicillin potassium
C17H19KN2O5S (402.06517040000006)
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
C24H19O4P (402.10209040000007)
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
C23H19BrN2 (402.07315140000003)
2,5-diethoxy-4-(p-tolylthio)benzenediazonium tetrafluoroborate
Methyl (2S,4S)-1-Fmoc-4-aminopyrrolidine-2-carboxylate hydrochloride
C21H23ClN2O4 (402.13462680000004)
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-(FMOC-AMINO)-4-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE
C21H23ClN2O4 (402.13462680000004)
4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide
C20H22N2O5S (402.12493620000004)
Chaetominine
An organic heterotetracyclic compound that consists of 4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione substituted by a hydroxy group at position 5, a methyl group at position 2 and a 4-oxoquinazolin-3(4H)-yl group at position 4 (the 2S,4R,5aS,9cS stereoisomer). It is a cytotoxic alkaloid isolated from the endophytic fungus Chaetomium.
(2S,4R)-2-METHYL 1-(4-NITROBENZYL) 4-((METHYLSULFONYL)OXY)PYRROLIDINE-1,2-DICARBOXYLATE
C15H18N2O9S (402.07329780000003)
2-ACETAMIDO-2-DEOXY-D-GLUCONHYDROXIMO-1,5-LACTONE 1-N,3,4,6-TETRAACETATE
(Z)-3-((2-(N-hydroxycarbaMiMidoyl)biphenyl-4-yl)Methyl)-2-oxo-2,3-dihydro-1H-benzo[d]iMidazole-4-carboxylic acid
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
C14H18ClF3N2O4S (402.06278540000005)
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
Rilpivirine hydrochloride
C22H19ClN6 (402.13596440000003)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
VARESPLADIB sodium
C21H19N2NaO5 (402.11916040000006)
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
C19H22N4O2S2 (402.11841119999997)
4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl benzoate
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
C20H22N2O3S2 (402.10717819999996)
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
C21H19ClO6 (402.08701040000005)
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
2,5-Bis(2-chloro-4-guanidinophenyl)furan
C18H16Cl2N6O (402.07625859999996)
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]-
C20H17ClNO6- (402.07443520000004)
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
C22H23ClO5 (402.12339380000003)
4-Hydroxy-5-(3,5-dihydroxyphenyl)-valeric acid glucuronide
C17H22O11 (402.11620619999997)
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.
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
4-Chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester
C17H23ClN2O5S (402.10161380000005)
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide
N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-pyridinecarboxamide
3-[[[2-(3-Methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide
C20H13F3N2O4 (402.08273740000004)
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(2-nitrophenoxy)acetamide
2-[[Cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester
C20H22N2O5S (402.12493620000004)
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
C17H23ClN2O5S (402.10161380000005)
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
C18H18N4O3S2 (402.08202780000005)
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
C19H22N4O2S2 (402.11841119999997)
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide
C19H22N4O2S2 (402.11841119999997)
4-[(1-Methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-quinazolinylthio)acetamide
C18H18N4O3S2 (402.08202780000005)
(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
C19H14O10 (402.05869440000004)
6-[5-(3,4-Dihydroxyphenyl)-4-hydroxypentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C17H22O11 (402.11620619999997)
4,5-Dioxo-2-phenyl-1-(4-sulfamoylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester
C19H18N2O6S (402.08855280000006)
(1S,5R)-8-methyl-3-[(4-nitrophenoxy)-phenylphosphoryl]oxy-8-azabicyclo[3.2.1]octane
(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.
2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate
A zwitterion that is derived from 2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups; major species at pH 7.3.
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid
A member of the class of indoles obtained by dimerisation of 2-imino-3-(indol-3-yl)propanoic acid. An intermediate in the biosynthesis of violacein.
ochratoxin A(1-)
C20H17ClNO6 (402.07443520000004)
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
C17H22O11 (402.11620619999997)
4-Hydroxy-5-(3,5-dihydroxyphenyl)-valeric acid-O-glucuronide
C17H22O11 (402.11620619999997)
6-[2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid
C22H23ClO5 (402.12339380000003)
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
C17H22O11 (402.11620619999997)
6-[5-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
C17H22O11 (402.11620619999997)
Mollicellin J
C21H19ClO6 (402.08701040000005)
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
C17H23ClN2O5S (402.10161380000005)
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
C20H19ClN2O3S (402.08048540000004)
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].
AP521
C20H19ClN2O3S (402.08048540000004)
AP521 is an agonist of human 5-HT1A receptor with an IC50 of 94 nM.
Fuzapladib (sodium)
C15H20F3N3NaO3S (402.10751060000007)
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)
C19H16Cl2N4O2 (402.06502559999996)
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].
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].