Exact Mass: 446.1446
Exact Mass Matches: 446.1446
Found 500 metabolites which its exact mass value is equals to given mass value 446.1446,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Swertisin
Swertisin is a flavone C-glycoside that is 7-O-methylapigenin in which the hydrogen at position 6 has been replaced by a beta-D-glucosyl residue. It has a role as a plant metabolite, an adenosine A1 receptor antagonist, an anti-inflammatory agent, an antioxidant and a hypoglycemic agent. It is a flavone C-glycoside, a monosaccharide derivative, a polyphenol, a monomethoxyflavone and a dihydroxyflavone. It is functionally related to an apigenin. Swertisin is a natural product found in Carex fraseriana, Gentiana orbicularis, and other organisms with data available. A flavone C-glycoside that is 7-O-methylapigenin in which the hydrogen at position 6 has been replaced by a beta-D-glucosyl residue. Swertisin, a C-glucosylflavone isolated from Iris tectorum, is known to have antidiabetic, anti-inflammatory and antioxidant effects. Swertisin is an adenosine A1 receptor antagonist[1][2].
Glucoobtusifolin
Obtusifolin 2-glucoside is an anthraquinone. Obtusifolin 2-glucoside is a natural product found in Senna obtusifolia and Senna tora with data available. Glucoobtusifolin is found in coffee and coffee products. Glucoobtusifolin is isolated from seeds of Cassia tora (charota
Glycitin
Glycitin is an isoflavone glycoside present in human diets containing soy. The transformation of glycitin by intestinal microflora produces glycitein, a compound found to scavenge intracellular reactive oxygen species. Diverse bacteria strains from human origin have specific activity (beta-glucosidase activity) in the metabolism of dietary flavonoids. Soy isoflavones are popular supplements based on their potential protection against cancer and their use as alternative hormone replacement therapy. Is one of the isoflavones present in ready-to-feed soy-based infant formula. (PMID: 17516245, 17157426, 17439230, 12607743). Present in soya foods; potential nutriceutical. Glycitin is found in many foods, some of which are soy milk, tofu, miso, and soy sauce. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Glycitin is a natural isoflavone isolated from legumes; promotes the proliferation of bone marrow stromal cells and osteoblasts and suppresses bone turnover.Glycitin is antibacterial, antiviral and estrogenic. Glycitin is a natural isoflavone isolated from legumes; promotes the proliferation of bone marrow stromal cells and osteoblasts and suppresses bone turnover.Glycitin is antibacterial, antiviral and estrogenic.
Sissotrin
Sissotrin is found in chickpea. Sissotrin is a constituent of Cicer arietinum (chickpea). Constituent of Cicer arietinum (chickpea). Biochanin A 7-glucoside is found in chickpea. Acquisition and generation of the data is financially supported in part by CREST/JST.
(-)-maackiain-3-O-glucoside
(-)-maackiain-3-o-glucoside, also known as trifolrhizin, is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids (-)-maackiain-3-o-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (-)-maackiain-3-o-glucoside can be found in a number of food items such as pepper (c. pubescens), loquat, nopal, and kiwi, which makes (-)-maackiain-3-o-glucoside a potential biomarker for the consumption of these food products. Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2]. Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2].
Physcion 8-glucoside
Physcion 8-glucoside is an anthraquinone. Physcion 8-glucoside is a natural product found in Rheum palmatum, Rheum australe, and Senna obtusifolia with data available.
Febantel
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Rheochrysin
Rheochrysin is an anthraquinone. Rheochrysin is a natural product found in Selaginella delicatula, Rheum australe, and other organisms with data available. Rheochrysin is found in green vegetables. Rheochrysin occurs in root of Rheum sp Occurs in root of Rheum subspecies Rheochrysin is found in green vegetables. Physcion 8-O-β-D-glucopyranosideis an anthraquinone compound isolated from Rumex japonicus Houtt. Physcion 8-O-β-D-glucopyranoside exerts anti-inflammatory and anti-cancer properties, can be for common malignancy cancer research[1].
Trifolirhizin
Maackiain O-beta-D-galactopyranoside is found in herbs and spices. Maackiain O-beta-D-galactopyranoside is isolated from Trifolium pratense (red clover). Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2]. Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2].
Calycosin 7-galactoside
Calycosin 7-galactoside is found in herbs and spices. Calycosin 7-galactoside is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Calycosin 7-galactoside is found in tea, herbs and spices, and pulses.
5,7-dihydroxy-2-(4-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Osmanthuside A
Osmanthuside C is found in herbs and spices. Osmanthuside C is isolated from Osmanthus fragrans (sweet osmanthus). Isolated from Osmanthus fragrans (sweet osmanthus). Osmanthuside C is found in herbs and spices.
Prunitrin
Prunitrin is found in herbs and spices. Prunitrin is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Prunitrin is found in tea and herbs and spices. Prunetrin (Trifoside) is a soflavonoid found in above-ground and below-ground organs of red clover[1].
Kaempferide 3-rhamnoside
Kaempferide 3-rhamnoside is found in alcoholic beverages. Kaempferide 3-rhamnoside is a constituent of the aerial parts of Agrimonia eupatoria (agrimony). Constituent of the aerial parts of Agrimonia eupatoria (agrimony). Kaempferide 3-rhamnoside is found in tea and alcoholic beverages.
2-(4-hydroxy-3-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Lucuminic acid
Lucuminic acid is found in fruits. Lucuminic acid is a constituent of Calocarpum sapota (marmalade plum) Constituent of Calocarpum sapota (marmalade plum). Lucuminic acid is found in fruits.
3,6,7-Trihydroxy-4'-methoxyflavone 7-rhamnoside
3,6,7-Trihydroxy-4-methoxyflavone 7-rhamnoside is found in cereals and cereal products. 3,6,7-Trihydroxy-4-methoxyflavone 7-rhamnoside is a constituent of the leaves of Setaria italica (Foxtail millet). Constituent of the leaves of Setaria italica (Foxtail millet). 3,6,7-Trihydroxy-4-methoxyflavone 7-rhamnoside is found in cereals and cereal products.
Gefitinib
Gefitinib (originally coded ZD1839) is a drug used in the treatment of certain types of cancer. Acting in a similar manner to erlotinib (marketed as Tarceva), gefitinib selectively targets the mutant proteins in malignant cells. It is marketed by AstraZeneca under the trade name Iressa. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Physcionin
Physcionin is found in green vegetables. Physcionin is a constituent of root of Rheum species. Constituent of root of Rheum subspecies Physcionin is found in green vegetables. Physcion 8-O-β-D-glucopyranosideis an anthraquinone compound isolated from Rumex japonicus Houtt. Physcion 8-O-β-D-glucopyranoside exerts anti-inflammatory and anti-cancer properties, can be for common malignancy cancer research[1].
3 Pound feminine-Methoxy Puerarin
Febantel
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Nesbuvir
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
7-O-Methylapigenin 6-C-beta-D-glucopyranoside
Acacetin 7-glucoside
Acacetin 7-glucoside, also known as tilianin, 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. Acacetin 7-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Acacetin 7-glucoside can be found in cornmint, which makes acacetin 7-glucoside a potential biomarker for the consumption of this food product. Tilianin is an active flavonoid glycoside found in many medical plants, with potential anti-hypertensive, myocardial-protective, anti-diabetic, anti-hyperlipidemic, anti-inflammatory and antioxidant effects[1][2][3]. Tilianin is an active flavonoid glycoside found in many medical plants, with potential anti-hypertensive, myocardial-protective, anti-diabetic, anti-hyperlipidemic, anti-inflammatory and antioxidant effects[1][2][3].
Monotropeoside
Monotropeoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Monotropeoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Monotropeoside can be found in bilberry, which makes monotropeoside a potential biomarker for the consumption of this food product.
Prunetinoside
Prunetinoside is a member of the class of compounds known as isoflavonoid o-glycosides. Isoflavonoid o-glycosides are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Prunetinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Prunetinoside can be found in sour cherry, which makes prunetinoside a potential biomarker for the consumption of this food product.
Physcion 8-glucoside
Physcion 8-glucoside is a member of the class of compounds known as anthraquinones. Anthraquinones are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Physcion 8-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Physcion 8-glucoside can be found in garden rhubarb, which makes physcion 8-glucoside a potential biomarker for the consumption of this food product.
Glycitin
Glycitin is a glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4 and a beta-D-glucopyranosyloxy group at position 7. It has a role as a plant metabolite. It is a methoxyisoflavone, a hydroxyisoflavone, a monosaccharide derivative and a 7-hydroxyisoflavones 7-O-beta-D-glucoside. Glycitin is a natural product found in Sorbus cuspidata, Ziziphus spina-christi, and other organisms with data available. A glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4 and a beta-D-glucopyranosyloxy group at position 7. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Glycitin is a natural isoflavone isolated from legumes; promotes the proliferation of bone marrow stromal cells and osteoblasts and suppresses bone turnover.Glycitin is antibacterial, antiviral and estrogenic. Glycitin is a natural isoflavone isolated from legumes; promotes the proliferation of bone marrow stromal cells and osteoblasts and suppresses bone turnover.Glycitin is antibacterial, antiviral and estrogenic.
trifolrhizin
Trifolirhizin is a member of pterocarpans. Trifolirhizin is a natural product found in Sophora alopecuroides, Ononis arvensis, and other organisms with data available. Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2]. Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2].
Gaultherin
Gaultherin is a glycoside. Gaultherin is a natural product found in Gaultheria procumbens, Monotropa hypopitys, and other organisms with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Gaultherin, a natural salicylate derivative, is isolated from Gaultheria yunnanensis. Gaultherin is a non-steroidal anti-inflammatory drug (NSAID). Gaultherin has analgesic and anti-inflammatory effects and lack gastric ulcerogenic effect compared to Aspirin[1].
Daphylloside
Daphylloside is a glycoside and an iridoid monoterpenoid. Daphylloside is a natural product found in Spermacoce alata, Escallonia myrtoidea, and other organisms with data available.
3-Methoxypuerarin
3-Methoxypuerarin is a natural product found in Pueraria montana var. lobata with data available. 3'-Methoxypuerarin (3'-MOP) is an isoflavone extracted from radix puerariae that shows neuron protection activity. 3'-Methoxypuerarin (3'-MOP) is an isoflavone extracted from radix puerariae that shows neuron protection activity.
Calycosin-7-O-β-D-glucoside
Calycosin-7-O-beta-D-glucoside is a glycosyloxyisoflavone that is calycosin substituted by a beta-D-glucopyranosyl residue at position at 7 via a glycosidic linkage. It is a hydroxyisoflavone, a monosaccharide derivative, a member of 4-methoxyisoflavones and a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It is functionally related to a calycosin. Calycosin 7-O-glucoside is a natural product found in Astragalus mongholicus, Maackia amurensis, and other organisms with data available. See also: Astragalus propinquus root (part of). Calycosin-7-O-β-D-glucoside is an isoflavone isolated from Astragali Radix. Calycosin-7-O-β-D-glucoside has variety of biological activities, such as neuroprotective, cardioprotection, anti-inflammation, and antioxidative stress effects[1][2]. Calycosin-7-O-β-D-glucoside is an isoflavone isolated from Astragali Radix. Calycosin-7-O-β-D-glucoside has variety of biological activities, such as neuroprotective, cardioprotection, anti-inflammation, and antioxidative stress effects[1][2].
Tilianin
Tilianin is a natural product found in Tanacetum vulgare, Linaria kurdica, and other organisms with data available. Tilianin is an active flavonoid glycoside found in many medical plants, with potential anti-hypertensive, myocardial-protective, anti-diabetic, anti-hyperlipidemic, anti-inflammatory and antioxidant effects[1][2][3]. Tilianin is an active flavonoid glycoside found in many medical plants, with potential anti-hypertensive, myocardial-protective, anti-diabetic, anti-hyperlipidemic, anti-inflammatory and antioxidant effects[1][2][3].
4-methyloxy-Genistin
Calycosin 7-O-glucoside
Calycosin-7-O-β-D-glucoside is an isoflavone isolated from Astragali Radix. Calycosin-7-O-β-D-glucoside has variety of biological activities, such as neuroprotective, cardioprotection, anti-inflammation, and antioxidative stress effects[1][2]. Calycosin-7-O-β-D-glucoside is an isoflavone isolated from Astragali Radix. Calycosin-7-O-β-D-glucoside has variety of biological activities, such as neuroprotective, cardioprotection, anti-inflammation, and antioxidative stress effects[1][2].
5,4-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside
Isoswertisin
5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside
Echioidinin 5-O-glucoside
Pueraria glycoside 3
3'-Methoxypuerarin (3'-MOP) is an isoflavone extracted from radix puerariae that shows neuron protection activity. 3'-Methoxypuerarin (3'-MOP) is an isoflavone extracted from radix puerariae that shows neuron protection activity.
Hispidulin 7-rhamnoside
5,8-Dihydroxy-3,7,2,3,4-pentamethoxyflavone 8-acetate
Trifolirhizin
Isolated from Trifolium pratense (red clover). Maackiain O-beta-D-galactopyranoside is found in tea and herbs and spices. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.909 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.906 Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2]. Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities[2].
4-Methyl,2-P-[beta-D-xylopyranosyl-1-6-beta-D-glucopyranoside]-2,4-Dihydroxybenzaldehyde
2-hydroxyformononetin beta-D-glucoside|2-hydroxyformononetin 7-O-glucoside
3-methoxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside A
(E)-7-O-beta-D-glucopyranoside-5-hydroxy-3-(4-hydroxybenzylidene)chroman-4-one|4-demethyleucomin 7-O-beta-D-glucopyranoside
2H-1-Benzopyran-3,4-diol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7,8-dimethoxy-, diacetate, [2R-(2.alpha.,3.alpha.,4.alpha.)]-
(2S,4R)-7,4-dihydroxy-6,8-dimethyl-4,2-oxidoflavan-5-O-beta-D-glucopyranoside|abacopterin F
3-(alpha-methoxy-4-hydroxybenzylidene)-6-hydroxybenzofuran-2(3H)-one-7-C-beta-D-glucopyranoside|pteroisoauroside
9alpha,13alpha-dihydroxyisopropylidenylisatisine A
6-O-trans-p-coumaroyl-(4-hydroxybenzoyl)-beta-D-glucopyranoside
erythritol-1-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside
3,4-dihydroxy-6-methoxyflavone-7-O-alpha-L-rhamnopyranoside
8-Me ether,3-O-alpha-L-rhamnopyranoside-1,3,5,8-Tetrahydroxy-2-methylanthraquinone
benzoyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
3,3,4,5,5,8-hexamethoxy-6,7-methylenedioxyflavone|Di-Me ether-3,5-Dihydroxy-3,4,5,8-tetramethoxy-6,7-methylenedioxyflavone
6-methoxy-7-hydroxy-4-O-beta-D-glucosylisoflavone|glycitein 4-O-beta-D-glucoside|glycitein 4-O-beta-glucoside|glycitein-4-O-beta-D-glucoside
7,4-dihydroxy-5-methoxyflavone-6-C-beta-D-glucopyranoside
nepodin-8-O-beta-D-(60-O-trans-crotonoyl)glucopyranoside|rumexneposide A
cinnacasolide A|methyl 3-hydoxybenzoyl-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
dichotomine I|methyl 1-acetyl-8-(beta-D-glucopyranosyloxy)-9H-beta-carboline-3-carboxylate
7-O-beta-glucopyranosyl demethoxymatteucinol|demethoxymatteucinol-7-O-beta-D-glucopyranoside|demethoxymatteuocinol 7-O-glucopyranoside
5,6,6-Trimethoxy-4,10-dihydroxy-11,12-dimethyl-4,5-(epoxymethanoxy)-2,2-butanobiphenyl-3-carboxylic acid
7-beta-D-glucopyranosyloxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulene-3,10-diol|subavenoside C
7-methyl-luteolin 8-C-beta-(6-deoxyxylo-3-uloside)
1-(3,5-Dimethoxy-4-hydroxyphenyl)-6,8-dimethoxy-7-hydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
5-Me ether,8-O-alpha-L-rhamnopyranoside-1,3,5,8-Tetrahydroxy-2-methylanthraquinone
(-)-15-methoxypodorhizol|(-)-5-methoxypodorhizol|5-Methoxypodorhizol
betabeta-Pyranose-benzyl glycoside-3-O-beta-D-Glucopyranuronosyl-D-galactose
(1R,2R)-1-(3-methoxy-4,5-methylenedioxyphenyl)-2-methyl-3-oxobutyl 3,4,5-trimethoxybenzoate|tsangin B
3-(beta-D-glucopyranosyloxy)-7-hydroxy-4-methoxyisoflavone|3-[3-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]-7-hydroxy-1H-1-benzopyran-4-one|caragiside B
4-Me ether-3-Glucopyranosyl-4,5,7-trihydroxyflavone
O-beta-D-Galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->2)-L-erythritol
5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-O-alpha-rhamnosyl-4H-1-benzopyran-4-one
4-O-(6-O-p-hydroxybenzoyl-beta-D-glucopyranosyl)-cis-p-coumaric acid
3-hydroxy-5,7-dimethoxyflavone 4-O-beta-D-apiofuranoside
(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 3-methoxy-4,5-methylenedioxybenzoate|tsangin A
7-Me ether-8-Glucopyranosyl-4,5,7,-trihydroxyflavanone
3?-Methoxy-5?-hydroxy isoflavone-7-O-beta-D-glucoside
prunitrin
Prunetin 4-O-glucoside is a glycosyloxyisoflavone that is the 4-O-beta-D-glucoside of prunetin. It is a hydroxyisoflavone, a glycosyloxyisoflavone and a member of 7-methoxyisoflavones. It is functionally related to a prunetin. Prunetin 4-O-glucoside is a natural product found in Dalbergia sissoo, Styphnolobium japonicum, and other organisms with data available. Prunetrin (Trifoside) is a soflavonoid found in above-ground and below-ground organs of red clover[1].
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester
5-hydroxy-8-methoxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside
C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside
C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate
C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)
7-O-beta-glucopyranosyl-4-hydroxy-5-methoxyisoflavone
3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Trichodermamide C
CONFIDENCE isolated standard
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based: Match]
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based on: CCMSLIB00000848485]
1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)ethane
The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
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Cys Asn Asn Pro
Cys Asn Pro Asn
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Cys Thr His Ser
Cys Thr Ser His
Asp Asp Pro Thr
Asp Asp Thr Pro
Asp Glu Pro Ser
Asp Glu Ser Pro
Asp Pro Asp Thr
Asp Pro Glu Ser
Asp Pro Ser Glu
Asp Pro Thr Asp
Asp Ser Glu Pro
Asp Ser Pro Glu
Asp Thr Asp Pro
Asp Thr Pro Asp
Glu Asp Pro Ser
Glu Asp Ser Pro
Glu Pro Asp Ser
Glu Pro Ser Asp
Glu Ser Asp Pro
Glu Ser Pro Asp
Gly Cys His Met
Gly Cys Met His
Gly His Cys Met
Gly His Met Cys
Gly Met Cys His
Gly Met His Cys
His Cys Gly Met
His Cys Met Gly
His Cys Ser Thr
His Cys Thr Ser
His Gly Cys Met
His Gly Met Cys
His Met Cys Gly
His Met Gly Cys
His Ser Cys Thr
His Ser Thr Cys
His Thr Cys Ser
His Thr Ser Cys
Met Cys Gly His
Met Cys His Gly
Met Cys Pro Pro
Met Gly Cys His
Met Gly His Cys
Met His Cys Gly
Met His Gly Cys
Met Pro Cys Pro
Met Pro Pro Cys
Asn Cys Asn Pro
Asn Cys Pro Asn
Asn Asn Cys Pro
Asn Asn Pro Cys
Asn Pro Cys Asn
Asn Pro Asn Cys
Pro Cys Met Pro
Pro Cys Asn Asn
Pro Cys Pro Met
Pro Asp Asp Thr
Pro Asp Glu Ser
Pro Asp Ser Glu
Pro Asp Thr Asp
Pro Glu Asp Ser
Pro Glu Ser Asp
Pro Met Cys Pro
Pro Met Pro Cys
Pro Asn Cys Asn
Pro Asn Asn Cys
Pro Pro Cys Met
Pro Pro Met Cys
Pro Ser Asp Glu
Pro Ser Glu Asp
Pro Thr Asp Asp
Ser Cys His Thr
Ser Cys Thr His
Ser Asp Glu Pro
Ser Asp Pro Glu
Ser Glu Asp Pro
Ser Glu Pro Asp
Ser His Cys Thr
Ser His Thr Cys
Ser Pro Asp Glu
Ser Pro Glu Asp
Ser Thr Cys His
Ser Thr His Cys
Thr Cys His Ser
Thr Cys Ser His
Thr Asp Asp Pro
Thr Asp Pro Asp
Thr His Cys Ser
Thr His Ser Cys
Thr Pro Asp Asp
Thr Ser Cys His
Thr Ser His Cys
2-ETHOXYCARBONYL-5,7-DIHYDROXY-8,3,4,5-TETRAMETHOXYISOFLAVONE
Gefitinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Lucuminic acid
Osmanthuside A
Calycosin 7-galactoside
Physcionin
Physcion 8-O-β-D-glucopyranosideis an anthraquinone compound isolated from Rumex japonicus Houtt. Physcion 8-O-β-D-glucopyranoside exerts anti-inflammatory and anti-cancer properties, can be for common malignancy cancer research[1].
1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-α-D-ARABINOFURANOSE
hydroxyzine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics Hydroxyzine dihydrochloride, a benzodiazepine antihistamine agent, acts as a orally active histamine?H1-receptor and serotonin antagonist. Hydroxyzine dihydrochloride has anxiolytic effect and can be used forthe research of generalised anxiety disorder[1][2].
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1,1-dimethyl-2-(1-methylethoxy)-2-oxoethyl ester
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
3-ETHYL-5-[(E,2E)-1-PHENYL-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-2-BUTENYLIDENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane
Cloprostenol Sodium
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents
Cvt-6883
GS-6201 (CVT-6883) is a selective adenosine A2B receptor antagonist. GS-6201 displays high affinity and selectivity for the human adenosine A2B receptors (Ki=22 nM)[1]. GS-6201 reduces caspase-1 activity in the heart, and attenuates cardiac remodeling after acute myocardial infarction (AMI) in the mouse[2]. GS-62013 attenuates the airway reactivity induced by NECA, AMP, or allergen in sensitized mice[3].
2-(2-methylpropoxy)ethyl 2-(2-cyanoethylamino)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzoate
benzene-1,3-dicarboxylic acid,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
GW791343
GW791343 dihydrochloride is a potent human P2X7 receptor negative allosteric modulator (exhibits species-specific activity), produces a non-competitive antagonist effect on human P2X7 receptor, with a pIC50 of 6.9-7.2. GW791343 dihydrochloride can enhance ATP rhythm. GW791343 dihydrochloride can be used in study of neurological disease[1][2].
3-Deschloro-4-Desfluoro-4-Chloro-3-Fluoro Gefitinib
POLYPHENYL ETHER (5 RINGS) OS-124, STAT. PHASE FOR GC
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
Acacetin-7-O-beta-D-galactopyranoside
A glycosyloxyflavone that is the 7-O-beta-D-galactopyranosyl derivative of acacetin. It is isolated from the flowering heads of Chrysanthemum morifolium and has been found to possess potent anti-HIV activity.
N-(7,8-Dimethoxy-2-oxochromen-3-YL)-4A,5,8-trihydroxy-N-methyl-4,5,8,8A-tetrahydro-1,2-benzoxazine-3-carboxamide
Nesbuvir
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Rheochrysin
Physcion 8-O-β-D-glucopyranosideis an anthraquinone compound isolated from Rumex japonicus Houtt. Physcion 8-O-β-D-glucopyranoside exerts anti-inflammatory and anti-cancer properties, can be for common malignancy cancer research[1].
methyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]uran-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
(2S)-2-[[4-[[(6S)-2,4-dioxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
2-[2-[[(2S)-2-azaniumyl-2-carboxylatoethyl]amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydron;dichloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D003879 - Dermatologic Agents > D000982 - Antipruritics
3-L-valyl-AMP
An L-valyl ester obtained by formal condensation of the carboxy group of L-valine with the 3-hydroxy group of AMP.
2-[4-[(E)-3-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid
4-[2-Nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
2-[3-(3,4-Dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester
2-[(4-Chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
7,8-dimethoxy-2-phenyl-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
methyl (3R)-2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
4-(3-Acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] heptanoate
staphyloferrin B(2-)
A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the amino group of staphyloferrin B; major species at pH 7.3.
OGT-IN-2
OGT-IN-2 (compound 4) is a potent O-GlcNAc transferase (OGT) inhibitor, with IC50 values of 30 and 53 μM for sOGT and ncOGT, respectively[1].
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl benzoate
2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 7-methoxy-2h-1,3-benzodioxole-5-carboxylate
(2r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
methyl 2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate
methyl 7-[(acetyloxy)methyl]-6-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
3-(hydroxymethyl)-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
[(2r,3s,4s,5r,6s)-6-[(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-but-2-enoate
[(2r,3s,4s,5r)-3,4,5-trihydroxy-6-(4-hydroxy-2,3-dimethylphenoxy)oxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(9r,10r,11r)-5,11-dihydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaene-6-carboxylic acid
10-acetoxymajoroside
{"Ingredient_id": "HBIN000045","Ingredient_name": "10-acetoxymajoroside","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "CC(=O)OCC1=C2C(CC1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101006028","DrugBank_id": "NA"}
1′-O-benzoylsucrose
{"Ingredient_id": "HBIN002845","Ingredient_name": "1\u2032-O-benzoylsucrose","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
