Exact Mass: 402.1253
Exact Mass Matches: 402.1253
Found 500 metabolites which its exact mass value is equals to given mass value 402.1253,
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].
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
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.
Sulforidazine
Sulforidazine belongs to the family of Phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Benzyl beta-primeveroside
Benzyl beta-primeveroside is found in tea. Benzyl beta-primeveroside is an aroma precursor from Oolong tea leaves (Camellia sinensis). Aroma precursor from Oolong tea leaves (Camellia sinensis). Benzyl beta-primeveroside is found in tea.
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.
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]
Benzyl O-[arabinofuranosyl-(1->6)-glucoside] is found in alcoholic beverages. Benzyl O-[arabinofuranosyl-(1->6)-glucoside] is isolated from wine grapes (Vitis vinifera). Isolated from wine grapes (Vitis vinifera). Benzyl O-[arabinofuranosyl-(1->6)-glucoside] is found in alcoholic beverages and fruits.
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.
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
(Z)-6-[(2S,4S,5R)-2-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
Setipiprant
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C177182 - Prostaglandin Receptor Antagonist
Benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucoside
Benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside, also known as benzyl acuminose, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside can be found in common grape, which makes benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside a potential biomarker for the consumption of this food product.
Icariside F2
Icariside F2 is a glycoside. Icariside F2 is a natural product found in Grevillea robusta, Breynia rostrata, and other organisms with data available.
8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Calomelanol I
Calomelanol H
Inophyllum E
Austradiol diacetate
Bannamurpanisin
Bannamurpanisin is a natural product found in Neoraputia alba and Murraya paniculata with data available.
Tomentolide A
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].
Besonprodil
CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3293; ORIGINAL_PRECURSOR_SCAN_NO 3290 C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3290; ORIGINAL_PRECURSOR_SCAN_NO 3287 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3297; ORIGINAL_PRECURSOR_SCAN_NO 3295 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3287; ORIGINAL_PRECURSOR_SCAN_NO 3286 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3363; ORIGINAL_PRECURSOR_SCAN_NO 3361 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3296; ORIGINAL_PRECURSOR_SCAN_NO 3294 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6916; ORIGINAL_PRECURSOR_SCAN_NO 6915 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6924; ORIGINAL_PRECURSOR_SCAN_NO 6919 ORIGINAL_ACQUISITION_NO 6950; CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 6945 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6950; ORIGINAL_PRECURSOR_SCAN_NO 6945 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6975; ORIGINAL_PRECURSOR_SCAN_NO 6972 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6952; ORIGINAL_PRECURSOR_SCAN_NO 6949 CONFIDENCE standard compound; INTERNAL_ID 264; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6971; ORIGINAL_PRECURSOR_SCAN_NO 6968
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
Benzyl 4-O-b-D-galactopyranosyl-b-D-xylopyranoside
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
Benzyl glycoside-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-mannose
9-(acetyloxy)-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 2,3-dimethyloxirane-2-carboxylate
(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
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
3,4-demethylenepodophyllotoxin|6,7-O,O-demethylenepodophyllotoxin|6,7-O-Demethylen-podophyllotoxin
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
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
Benzyl glycoside-beta-Pyranose-2-O-beta-D-Glucopyranosyl-L-arabinose
2,5-dihydroxy-4-methoxyphenanthrene 2-O-beta-D-glucopyranoside|denneanoside A
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
benzyl-1-O-beta-D-apiofuranosyl (1->2)-beta-D-glucopyranoside
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.
5-Hydroxy-2,2-dimethyl-6-<(E)-2-methylbut-2-enoyl>-10-phenyl-2H,8H-benzo<1,2-b:3,4-b>dipyran-8-one|calophyllolide
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
C18H26O10_4-(beta-D-Glucopyranosyloxy)benzyl 2,3-dihydroxy-3-methylbutanoate
C18H26O10_beta-D-Glucopyranoside, phenylmethyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]
(2S)-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Cys Gly His Ser
Cys Gly Ser His
Cys His Gly Ser
Cys His Ser Gly
Cys Ser Gly His
Cys Ser His Gly
Asp Asp Gly Pro
Asp Asp Pro Gly
Asp Gly Asp Pro
Asp Gly Pro Asp
Asp Pro Asp Gly
Asp Pro Gly Asp
Gly Cys His Ser
Gly Cys Ser His
Gly Asp Asp Pro
Gly Asp Pro Asp
Gly His Cys Ser
Gly His Ser Cys
Gly Pro Asp Asp
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
Pro Asp Asp Gly
Pro Asp Gly Asp
Pro Gly Asp Asp
Ser Cys Gly His
Ser Cys His Gly
Ser Gly Cys His
Ser Gly His Cys
Ser His Cys Gly
Ser His Gly Cys
Chrysaloin
5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]
(2S,4S)-METHYL 4-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)PYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
(2,2-DIMETHOXY-[1,1-BINAPHTHALENE]-3,3-DIYL)DIBORONIC ACID
2-Biphenylyl diphenyl phosphate suppliers in China
5-O-CARBOMETHOXY-1,2-O-ISO-PROPYLIDENE-3-O-(P-TOLYL-SULFONYL)-ALPHA-D-XYLOFURANOSE
4-[(4-Chlorophenyl) phenylmethyl]-piperidine dihydrochloride
2-Bromo-5-dodecyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide
2,5-diethoxy-4-(p-tolylthio)benzenediazonium tetrafluoroborate
Methyl (2S,4S)-1-Fmoc-4-aminopyrrolidine-2-carboxylate hydrochloride
4-(FMOC-AMINO)-4-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDE
4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide
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.
Kondensationsprodukte von Dicarbonsuren mit mehrwertigen aliphatischen Alkoholen verestert
3H-Thieno[2,3-d]imidazole-5-carboxylic acid,3-cyclohexyl-2,6-diphenyl-
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
(R)-4-(anthracen-9-yl)-3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole
O6-Cyclohexylmethoxy-2-(4-sulphamoylanilino) purine
Rilpivirine hydrochloride
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
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
2,3-Dihydroxy-3-methylbutanoic acid 4-(beta-D-glucopyranosyloxy)benzyl ester
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
(2S,3R,4S,5r,6r)-2-(((3r,4r,5r,6r)-6-(benzyloxy)-4,5-dihydroxytetrahydro-2h-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 4-methoxybenzoate
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
3-(6-Cyclohexylmethoxy-9H-purin-2-ylamino)-benzenesulfonamide
4-{[5-(Cyclohexylmethoxy)[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]amino}benzenesulfonamide
Setipiprant
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C177182 - Prostaglandin Receptor Antagonist
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
Benzyl beta-primeveroside
A 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside in which the anomeric substituent is specified as benzyl.
1-hydroxy-2-[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyanthracene-9,10-dione
(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.
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
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
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
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
(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
2-(butylamino)-3-(3-chlorophenyl)-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
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
6-[5-Chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester
(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester
(2R,3R,4S)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-1-azetidinecarboxamide
(2S,3S,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide
(2S,3R,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide
6-[5-(3,4-Dihydroxyphenyl)-4-hydroxypentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(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
(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.
Sulforidazine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
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
N-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester
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.
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].
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].
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
(6r,7r)-6,7,10,10-tetramethyl-4-phenyl-6,7-dihydro-1,5,9-trioxatriphenylene-2,8-dione
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
5-hydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-6-[(1e)-3-methylbuta-1,3-dien-1-yl]pyrano[2,3-h]chromen-10-one
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
1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-9,12-dione
10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylpropanoate
(1s,10s,13s,15s)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-9,12-dione
(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
(2r,3r,4s,5s,6r)-2-(benzyloxy)-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
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
6-({[2-(c-hydroxycarbonimidoyl)phenyl]amino}methyl)-9-methoxyphenazine-1-carboxylic acid
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
4,4,16,17-tetramethyl-9-phenyl-6,12,18-trioxapentacyclo[12.4.0.0²,⁷.0³,⁵.0⁸,¹³]octadeca-1,7,9,13-tetraene-11,15-dione
(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
(1s,10r,13s,15r)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-9,12-dione
(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
benzyl alcohol,ban,inn,usan; o-[beta-d-apiofuranosyl-(1→2)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN017845","Ingredient_name": "benzyl alcohol,ban,inn,usan; o-[beta-d-apiofuranosyl-(1\u21922)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C18H26O10","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6360","PubChem_id": "NA","DrugBank_id": "NA"}
benzyl alcoholβ-d-(2'-o-β-xylopyranosyl)glucopyranoside
{"Ingredient_id": "HBIN017846","Ingredient_name": "benzyl alcohol\u03b2-d-(2'-o-\u03b2-xylopyranosyl)glucopyranoside","Alias": "NA","Ingredient_formula": "C18H26O10","Ingredient_Smile": "C1C(C(C(C(O1)OC2C(C(C(OC2OCC3=CC=CC=C3)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2279","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
benzyl alcoholo-β-d-primveroside
{"Ingredient_id": "HBIN017849","Ingredient_name": "benzyl alcoholo-\u03b2-d-primveroside","Alias": "NA","Ingredient_formula": "C18H26O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2278","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
