Exact Mass: 416.06231260000004
Exact Mass Matches: 416.06231260000004
Found 343 metabolites which its exact mass value is equals to given mass value 416.06231260000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Daidzin
Daidzein 7-O-beta-D-glucoside is a glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). It has a role as a plant metabolite. It is a hydroxyisoflavone, a monosaccharide derivative and a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It is functionally related to a daidzein. Daidzin is a natural product found in Thermopsis lanceolata, Thermopsis macrophylla, and other organisms with data available. See also: Astragalus propinquus root (part of). Daidzin is found in miso. Daidzin is isolated from soya bean (Glycine max) and soya bean meal, kudzu root (Pueraria lobata), alfalfa (Medicago sativa) and other Leguminosae.Daidzin is a cancer preventive and an alcohol dependency treatment (antidipsotropic) in animal models. Daidzin is a natural organic compound in the class of phytochemicals known as isoflavones. Daidzin can be found in Japanese plant Kudzu (Pueraria lobata, Fabaceae) and from soybean leaves A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). Isolated from soya bean (Glycine max) and soya bean meal, kudzu root (Pueraria lobata), alfalfa (Medicago sativa) and other Leguminosae D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents D004791 - Enzyme Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities. Daidzin is a potent and selective inhibitor of mitochondrial ALDH-2. Daidzin reduces ethanol consumption[1]. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities.
Puerarin
Puerarin is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4 and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a C-glycosyl compound and a hydroxyisoflavone. It is functionally related to an isoflavone. Puerarin has been investigated for the treatment of Alcohol Abuse. Puerarin is a natural product found in Neustanthus phaseoloides, Clematis hexapetala, and other organisms with data available. Puerarin, also known as Kakonein, is a member of the class of compounds known as isoflavonoid C-glycosides. These compounds are C-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Puerarin is considered a slightly soluble (in water), acidic compound. Puerarin can be synthesized into puerarin xyloside. Puerarin is found in a number of plants and herbs, such as the root of the kudzu plant. A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4 and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. A polyphenol metabolite detected in biological fluids [PhenolExplorer] D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Acquisition and generation of the data is financially supported in part by CREST/JST. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist.
O-Carbamoyl-deacetylcephalosporin C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Trovafloxacin
Trovafloxacin (sold as Trovan by Pfizer) is a broad spectrum antibiotic that inhibits the uncoiling of supercoiled DNA in various bacteria by blocking the activity of DNA gyrase and topoisomerase IV. It was withdrawn from the market due to the risk of hepatotoxicity. It had better gram-positive bacterial coverage and less gram-negative coverage than the previous fluoroquinolones. [Wikipedia] J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Chrysophanein
Isolated from Rheum, Rumex subspecies Chrysophanein is found in green vegetables and garden rhubarb. Chrysophanein is found in garden rhubarb. Chrysophanein is isolated from Rheum, Rumex species. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1]. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1].
Franguloside
Franguloside is found in green vegetables. Franguloside is a glycoside present in rhubarb root and Cascara sagrada. Glycoside present in rhubarb root and Cascara sagrada. Franguloside is found in green vegetables.
Brocillin
C18H21N2O5S. K (416.08081960000004)
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 Same as: D01649
Toringin
Occurs in Malus subspecies Chrysin 5-glucoside is found in malus (crab apple) and fruits. Toringin is found in fruits. Toringin occurs in Malus species. Toringin, a bioflavonoid, is isolated from the bark of Docyniopsis tschonoski. Toringin progressively decreases not only the cis-effect of the expanded CTG repeats but cytotoxicity as well. Exposure to isosakuranetin, Toringin rescues PC12 neuronal cells. Flavonoids are efficacious for ameliorating the RNA gain of function caused by expanded CTG repeats, and have various biological activities and beneficial actions against cancers, coronary heart disease, among other pathologies[1].
Pulmatin
Constituent of Rheum palmatum (Turkey rhubarb). Pulmatin is found in green vegetables and garden rhubarb. Pulmatin is found in garden rhubarb. Pulmatin is a constituent of Rheum palmatum (Turkey rhubarb)
(Z)-4',6-Dihydroxyaurone 6-glucoside
(Z)-4,6-Dihydroxyaurone 6-glucoside is found in pulses. (Z)-4,6-Dihydroxyaurone 6-glucoside is isolated from seedlings of Glycine max (soybean). Isolated from seedlings of Glycine max (soybean). (Z)-4,6-Dihydroxyaurone 6-glucoside is found in soy bean and pulses.
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one
Genistein 4'-rhamnoside
Genistein 4-rhamnoside is found in fruits. Genistein 4-rhamnoside is a constituent of Pithecellobium dulce (manila tamarino). Constituent of Pithecellobium dulce (manila tamarino). Genistein 4-rhamnoside is found in fruits.
3-(4-Hydroxyphenyl)-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
5-[(4-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
Doxorubicinolone
Fluorescein diacetate
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
Galangin 7-rhamnoside
Isolated from Artocarpus lakoocha (lakoocha). Galangin 7-rhamnoside is found in herbs and spices.
Toringin
7-Hydroxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Malus doumeri and Capsicum annuum with data available. Toringin, a bioflavonoid, is isolated from the bark of Docyniopsis tschonoski. Toringin progressively decreases not only the cis-effect of the expanded CTG repeats but cytotoxicity as well. Exposure to isosakuranetin, Toringin rescues PC12 neuronal cells. Flavonoids are efficacious for ameliorating the RNA gain of function caused by expanded CTG repeats, and have various biological activities and beneficial actions against cancers, coronary heart disease, among other pathologies[1].
Pulmatin
Chrysophanol 8-O-beta-D-glucoside is a beta-D-glucoside in which the aglycone species is chrysophanol, the glycosidic linkage being to the hydroxy group at C-8. It is a beta-D-glucoside and a monohydroxyanthraquinone. It is functionally related to a chrysophanol. Pulmatin is a natural product found in Selaginella delicatula, Rheum palmatum, and other organisms with data available. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1]. Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1].
Calomelanol D
Isofurcatain
Molludistin
Isomolludistin
5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-xylopyranoside
Daidzin
D002491 - Central Nervous System Agents > D000427 - Alcohol Deterrents D004791 - Enzyme Inhibitors Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities. Daidzin is a potent and selective inhibitor of mitochondrial ALDH-2. Daidzin reduces ethanol consumption[1]. Daidzin is an isoflavone with antioxidant, anticancer, and antiatherosclerotic activities.
Hispidol 6-glucoside
kakonein
Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist.
(1aS,1bS,2R,4aR,6R,7aS,7bS,9S,9aR)-6-(furan-3-yl)hexahydro-7a-methyl-4,11-dioxo-2H,4H-9,1b-(epoxymethano)-2,4a-methanofurof[2,3-d]oxireno[i][2]benzoxepin-1a(6H)-carboxylic acid methyl ester|bafoudiosbulbin E|methyl (2beta,3alpha,4alpha,6beta,12R)-17,19-dioxo-2,19:3,4:6,17:8,12:15,16-pentaepoxycleroda-13(16),14-diene-18-carboxylate
2,5,7-Tri-Me ether,8-Ac-2,3,5,5,7,8-Hexahydroxyflavone
mollicellin M
A member of the class of depsidones that is 3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities.
7-O-alpha-L-Rhamnopyranoside-3,5,7-Trihydroxyflavone
1-hydroxy-3-methyl-6-methoxyanthraquinone-8-O-beta-D-xylopyranoside
4,5-dihydroxyflavone-5-O-beta-D-glucopyranoside|5,4-dihydroxyflavone-5-O-beta-D-glucopyranoside|verbenacoside
3-(4-hydroxybenzylidene)-6-hydroxybenzo-2(3H)-furanone-7-C-beta-D-glucopyranoside|pterocarposide
1,8-dihydroxy-3-{[(alpha-rhamnopyranosyl)oxy]methyl}anthracen-9,10-dione|15-O-(alpha-rhamnopyranosyl)aloe-emodin|Aloeemodin-11-mono-alpha-L-rhamnosid
3-Me ether,8-O-alpha-L-xylopyranoside-1,3,8-Trihydroxy-6-methylanthraquinone
phrymarolin IV|rel-(1R,3aR,4S,6aS)-4-(1,3-benzodioxol-5-yloxy)dihydro-1-(4-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-ol
(E)-(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-3-yl)-methyl 3-(4-hydroxyphenyl)acrylate|kniphofione B
3,5,3,4,5-Pentamethoxy-6,7-methylendioxy-flavon|3,5,3?,4?,5?-pentamethoxy-6,7-methylenedioxyflavone|7,9-dimethoxy-6-(3,4,5-trimethoxy-phenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
7R,7R,8S,8S-8,8-dihydroxy-6-methoxy-3,4:3,4-bis(methylenedioxy)-7,9:7,9-diepoxylignan|palatiferin B
(9alpha)-9-methoxysesamin-2,2-diol|5,5-[(1S,3R,3aS,4S,6aR)-tetrahydro-3-methoxy-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[1,3-benzodioxol-4-ol]
8-O-alpha-L-Rhamnopyranoside-1,3,8-Trihydroxy-6-methylanthraquinone
genistein 7-O-alpha-L-6-deoxytalopyranoside|genistein-7-alpha-L-6-deoxytalopyranoside|talosin A
1,3-di-(2,4,6-trihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-propan-2-ol|1-(3,4-dihydroxyphenyl)-1,3-bis-(2,4,6-trihydroxyphenyl)-propan-2-ol
CAY10597
Chrysophanein
Chrysophanein is an anthraquinone. Chrysophanein is a natural product found in Rheum palmatum, Cassia fistula, and Picramnia latifolia with data available.
neopuerarin B
Puerarin
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist. Puerarin, an isoflavone extracted from Radix puerariae, is a 5-HT2C receptor antagonist.
7-hydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
EUK-134
Genistein 4'-rhamnoside
dimethyl (2S,3aS,8bR)-4-(benzenesulfonyl)-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-2,3-dicarboxylate
C20H20N2O6S (416.10420200000004)
N-PROPYL-3-METHYLPYRIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
C11H14F6N2O4S2 (416.02991560000004)
2-[4-(Dimethylamino)styryl]-1-methylquinolinium iodide
Quinolinium,4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-methyl-, iodide (1:1)
N-(6-Iodo-2-(trimethylsilyl)furo[3,2-b]pyridin-7-yl)pivalamide
C15H21IN2O2Si (416.04169959999996)
7-(6-bromohexoxy)-5-hydroxy-2-phenylchromen-4-one
C21H21BrO4 (416.06231260000004)
6-[[4-(2,5-Dihydro-2,5-Dioxo-1H-Pyrrol-1-Yl)Phenyl]Amino]-2-Naphthalenesulfonicacid Sodium Salt(1:1)
C20H13N2NaO5S (416.04428480000007)
Benzenesulfonamide,N,N-1,2-phenylenebis[4-methyl-
C20H20N2O4S2 (416.08644400000003)
3-METHYL-4-(5-NITRO-2-(PYRIDIN-2-YLTHIO)BENZYLIDENE)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE
1-Butylpyridinium bis[(trifluoromethyl)sulfonyl]azanide
C11H14F6N2O4S2 (416.02991560000004)
2-(tert-butylcarbamoylamino)-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
C20H21ClN4O2S (416.10736760000003)
2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
C18H17BrN4O3 (416.04839519999996)
4,4-(9H-Fluorene-9,9-diyl)bis(2-chloroaniline)
C25H18Cl2N2 (416.08469679999996)
Quinacillin
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
Ethyl 4-(2,8-dichloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
C22H22Cl2N2O2 (416.10582519999997)
1-Hydroxy-2-anthraquinonyl beta-D-glucopyranosiduronic acid
tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate
3-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid
Ethylenediaminetetraacetic acid tetrasodium salt dihydrate
C10H16N2Na4O10 (416.03957160000004)
Benzenesulfonothioicacid, 4-methyl-, S1,S1-1,3-propanediyl ester
Crolibulin
C18H17BrN4O3 (416.04839519999996)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
Floridin
Purpurquinone A
An azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, hydroxy groups at positions 1 and 8a, a methyl group at position 7 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum.
2-[5-[(3,4-Dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
7-[[5-(4-Methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-methyl-1-benzopyran-2-one
C23H16N2O4S (416.08307360000003)
2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-thiazolyl)acetamide
2-[5-[(2,4-Dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
C20H20N2O4S2 (416.08644400000003)
propicillin potassium
C18H21KN2O5S (416.08081960000004)
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
[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(4-methyl-2-oxochromen-7-yl)oxycyclohexyl]methyl dihydrogen phosphate
C17H21O10P (416.08722960000006)
Talosin A
A glycosyloxyisoflavone that is genistein attached to a alpha-L-6-deoxy-talopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Kitasatospora kifunensis, it exhibits antifungal activity.
N-(2-furanylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
4-[[2-[(4-Ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
C19H20N4O3S2 (416.09767700000003)
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
4-chloro-N-[3-(N-methylanilino)-1,4-dioxo-2-naphthalenyl]benzamide
C24H17ClN2O3 (416.09276420000003)
1-(1,3-Benzodioxol-5-yl)-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea
3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide
1-[[4-(6-Fluoro-3-pyridinyl)phenyl]methyl]-5-(trifluoromethoxy)indole-2,3-dione
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
6-(4-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylic acid O7-ethyl ester O2-methyl ester
C20H20N2O6S (416.10420200000004)
N-[5-[2-(4-chloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide
4-[[2-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
C18H13ClN4O6 (416.05235880000004)
2-[(E)-3-oxo-3-phenylprop-1-enyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
C20H11F3N2OS2 (416.02648719999996)
2-[5-[(Z)-(5,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
C23H16N2O4S (416.08307360000003)
3,4,5-Trihydroxy-6-[3-(6-hydroxy-7-methoxy-1,3-benzodioxol-5-yl)propanoyloxy]oxane-2-carboxylic acid
C17H20O12 (416.09547200000003)
5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-4-sulooxycyclohexene-1-carboxylic acid
C16H16O11S (416.04133060000004)
2-[(3E)-3-[(5Z)-5-[(6-bromo-1H-indol-3-yl)methylidene]-3,6-dioxopiperazin-2-ylidene]propyl]guanidine
C17H17BrN6O2 (416.05962819999996)
Trovafloxacin
A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
cefaloridine
A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.
BAY-1797
C20H17ClN2O4S (416.05975120000005)
BAY-1797 is a potent, orally active, and selective P2X4 antagonist, with an IC50 of 211 nM against human P2X4. BAY-1797 displays no or very weak activity on the other P2X ion channels. BAY-1797 shows anti-nociceptive and anti-inflammatory effects[1].
Thiamine monophosphate (chloride) (dihydrate)
C12H22ClN4O6PS (416.06861520000007)
Thiamine monophosphate chloride (dihydrate) is an endogenous metabolite.
8-hydroxy-3-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione
(2s,3s)-5-hydroxy-3-(hydroxymethyl)-2-(3,4,5-trimethoxyphenyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
(2r,3r)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(1r,4r,5r,6r,7s,8r)-6-(acetyloxy)-7-amino-4-hydroxy-4-(c-hydroxycarbonimidoyl)-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid
C11H17N2O11PS (416.02906620000005)
5,7-dihydroxy-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-3-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
2-hydroxy-3-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione
3-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-1-hydroxy-8-methoxy-6-methylanthracene-9,10-dione
6-(acetyloxy)-7-amino-4-hydroxy-4-(c-hydroxycarbonimidoyl)-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid
C11H17N2O11PS (416.02906620000005)
(10s)-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
2-(2-hydroxyphenyl)-7-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-2-one
(2s,3s)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5-hydroxy-3-(hydroxymethyl)-2-(3,4,5-trimethoxyphenyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5-hydroxy-3-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
7-hydroxy-2-(4-hydroxyphenyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
7-hydroxy-2-(4-hydroxyphenyl)-8-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
2-(3-hydroxy-4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
7-hydroxy-2-(4-hydroxyphenyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
7-hydroxy-4-phenyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
5,7-dihydroxy-2-phenyl-8-[(2s,4r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-3-(4-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
2-hydroxy-5-methoxy-3-(methoxycarbonyl)phenyl 6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carboxylate
5,6,7,8,5'-pentamethoxy-3',4'-methylenedioxy-flavone
{"Ingredient_id": "HBIN011104","Ingredient_name": "5,6,7,8,5'-pentamethoxy-3',4'-methylenedioxy-flavone","Alias": "NA","Ingredient_formula": "C21H20O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16860","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin 5-o-rhamnoside
{"Ingredient_id": "HBIN016418","Ingredient_name": "apigenin 5-o-rhamnoside","Alias": "NA","Ingredient_formula": "C21H20O9","Ingredient_Smile": "NA","Ingredient_weight": "416.38","OB_score": "NA","CAS_id": "119864-08-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6734","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-5-rhamnoside
{"Ingredient_id": "HBIN016419","Ingredient_name": "apigenin-5-rhamnoside","Alias": "NA","Ingredient_formula": "C21H20O9","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14335","TCMID_id": "1498","TCMSP_id": "NA","TCM_ID_id": "6733;21619","PubChem_id": "NA","DrugBank_id": "NA"}
bayin
{"Ingredient_id": "HBIN017641","Ingredient_name": "bayin","Alias": "8-beta-D-Glucopyranosyl-4',7-dihydroxyflavone; LMPK12110022; Bayin; SCHEMBL5352978","Ingredient_formula": "C21H20O9","Ingredient_Smile": "C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3)O)C4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "416.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18404","TCMID_id": "23642","TCMSP_id": "NA","TCM_ID_id": "6413","PubChem_id": "133556538","DrugBank_id": "NA"}
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)chromen-4-one
7-hydroxy-4-phenyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
1,8-dihydroxy-3-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}anthracene-9,10-dione
(1r,11r,14s,15s)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,16,18-pentaene-2,12-dione
C20H20N2O4S2 (416.08644400000003)
5-hydroxy-7-methoxy-2-phenyl-6-{[(2s,3r,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
methyl 13,17-dihydroxy-5-methoxy-7,12-dimethyl-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-carboxylate
5-hydroxy-2-phenyl-7-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(3r)-3,7-bis(acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-5-yl acetate
methyl 2-[2-(3,6-dihydroxy-2-methylphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
7-hydroxy-3-(4-hydroxyphenyl)-5-{[(3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(2z)-4-hydroxy-2-[(4-hydroxyphenyl)methylidene]-6-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-benzofuran-3-one
3-[8-(2,4-dihydroxy-6-methylbenzoyloxy)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-3-yl]prop-2-enoic acid
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
5,7-dihydroxy-3-(4-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)chromen-4-one
methyl 4-(3,5-diformyl-2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate
3-[(7r,8s,8as)-8-(2,4-dihydroxy-6-methylbenzoyloxy)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-3-yl]prop-2-enoic acid
(6s,6ar,12as)-11-hydroxy-2,3,9-trimethoxy-12-oxo-6a,12a-dihydro-6h-5,7-dioxatetraphen-6-yl acetate
5-hydroxy-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-phenyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(3z)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-2-one
6-chloro-5-hydroxy-7,12,16,16-tetramethyl-9,14-dioxo-2,10,17-trioxatetracyclo[9.8.0.0³,⁸.0¹³,¹⁸]nonadeca-1(19),3,5,7,11,13(18)-hexaene-4-carbaldehyde
7-hydroxy-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
5,7-dihydroxy-2-phenyl-6-[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(1s,3as,4r,6ar)-4-(2h-1,3-benzodioxol-5-yloxy)-1-(4-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-ol
7-hydroxy-3-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione
7-hydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(2e)-3-[(7r,8s,8as)-8-(2,4-dihydroxy-6-methylbenzoyloxy)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-3-yl]prop-2-enoic acid
1,8a-dihydroxy-7-methyl-6,8-dioxo-3-(prop-1-en-1-yl)-1h-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
7-hydroxy-3-(4-methoxyphenyl)-8-{[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
7-hydroxy-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
(3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
methyl (1s,2r,5r,7r,9s,10s,12s,13r,15s)-7-(furan-3-yl)-9-methyl-4,16-dioxo-3,6,14,17-tetraoxahexacyclo[10.3.2.1²,⁵.0¹,¹⁰.0⁵,⁹.0¹³,¹⁵]octadecane-15-carboxylate
7-[(acetyloxy)methyl]-15-formyl-6,14-dihydroxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylic acid
5,7-dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5,7-dihydroxy-2-phenyl-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
3-[7-(2,4-dihydroxy-6-methylbenzoyloxy)-6-hydroxy-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-3-yl]prop-2-enoic acid
6-[(2r,4s,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
3-{[2-amino-6-(4-ethenylphenoxycarbonyl)-3-hydroxyphenyl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid
C20H20N2O6S (416.10420200000004)
2-(2-hydroxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
7-{[(2s,3s,4r,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]oxolan-2-yl]oxy}-5,6-dihydroxy-2-phenylchromen-4-one
(3e)-6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-7-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-benzofuran-2-one
5,7-dihydroxy-2-phenyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
5-hydroxy-3-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
13-hydroxy-12-(hydroxymethyl)-5,17-dimethoxy-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
5'-ethylidene-4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,2'-furan]-5,6-dione
5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
7-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
1,8-dihydroxy-3-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)anthracene-9,10-dione
5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]icosa-4,6,8,16,18-pentaene-2,12-dione
C20H20N2O4S2 (416.08644400000003)
5,7-dihydroxy-2-phenyl-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(17r)-13-hydroxy-12-(hydroxymethyl)-5,17-dimethoxy-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
5-[4-(4-hydroxy-2h-1,3-benzodioxol-5-yl)-3-methoxy-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxol-4-ol
(6r,6ar,12as)-11-hydroxy-2,3,9-trimethoxy-12-oxo-6a,12a-dihydro-6h-5,7-dioxatetraphen-6-yl acetate
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)chromen-4-one
2-hydroxy-4-methoxy-6-(methoxycarbonyl)phenyl 6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carboxylate
7-[(4,5-dihydroxyoxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2s,3s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-3-(4-hydroxyphenyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
7-hydroxy-2-(4-hydroxyphenyl)-5-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(6r,7r)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-[(c-hydroxycarbonimidoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(2r,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-f]chromen-8-one
methyl 7-(furan-3-yl)-9-methyl-4,16-dioxo-3,6,14,17-tetraoxahexacyclo[10.3.2.1²,⁵.0¹,¹⁰.0⁵,⁹.0¹³,¹⁵]octadecane-15-carboxylate
(2s,3r)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2h,3h-[1,4]dioxino[2,3-f]chromen-8-one
5-hydroxy-2-phenyl-7-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
1,6-dihydroxy-3-methyl-8-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}anthracene-9,10-dione
(3r,4s,5r,6s)-5-[(4s,5s)-2,4-dichloro-5-hydroxy-5-(methoxycarbonyl)-3-oxocyclopent-1-en-1-yl]-3,4-dimethyl-6-[(1e)-prop-1-en-1-yl]cyclohex-1-ene-1-carboxylic acid
3,7-bis(acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-5-yl acetate
7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,6-dihydroxy-2-phenylchromen-4-one
5,7-dihydroxy-2-phenyl-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-3-{4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}chromen-4-one
(2s)-3-{[2-amino-6-(4-ethenylphenoxycarbonyl)-3-hydroxyphenyl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid
C20H20N2O6S (416.10420200000004)