Exact Mass: 446.1424
Exact Mass Matches: 446.1424
Found 500 metabolites which its exact mass value is equals to given mass value 446.1424
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
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.
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.
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
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
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.
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.
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
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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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
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].
120163-18-0
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
3-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(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
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
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
gluco-obtusifolin
Obtusifolin 2-glucoside is an anthraquinone. Obtusifolin 2-glucoside is a natural product found in Senna obtusifolia and Senna tora with data available.
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.
Biochanin a 7-O-beta-D-glucoside
A glycosyloxyisoflavone that is biochanin A attached to a beta-D-glucopyranosyl residue at position 7 via glycosidic linkage.
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-hydroxyphenyl)-5-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
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
5-hydroxy-2-(3-hydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)-7-methoxychromen-4-one
2-(4-hydroxyphenyl)-7-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(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
8-hydroxy-1-methoxy-3-methyl-2-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione
2-(4-hydroxyphenyl)-7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}chromen-4-one
5-hydroxy-8-methoxy-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1e,6e)-4-(1,2-dihydroxyethyl)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3,4,5-trihydroxyphenyl)hepta-1,6-diene-3,5-dione
7-{[(2s,3s,4s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
5-hydroxy-7-methoxy-2-phenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-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
3-(2-hydroxy-4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
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
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
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
7-hydroxy-6-methoxy-3-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
5-hydroxy-8-methoxy-2-phenyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
3-[4-({3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl}oxy)phenyl]prop-2-enoic acid
3-(4-hydroxy-3-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5-hydroxy-2-(4-methoxyphenyl)-7-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(1r,12r)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13,15,17-hexaen-16-yloxy]oxane-3,4,5-triol
(2s,3s,4r,5r,6s)-6-[(9s)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl acetate
(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
5-hydroxy-7-methoxy-2-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
7-hydroxy-5-methoxy-3-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
5-hydroxy-7-methoxy-3-(4-{[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
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"}
2-(β-d-glucopyranosyloxy)-8-hydroxy-1-methoxy-3-methyl-9,10-anthraquinone
{"Ingredient_id": "HBIN005388","Ingredient_name": "2-(\u03b2-d-glucopyranosyloxy)-8-hydroxy-1-methoxy-3-methyl-9,10-anthraquinone","Alias": "2-(beta-d-glucopyranosyloxy)-8-hydroxy-1-methoxy-3-methyl-9,10-anthraquinone","Ingredient_formula": "C22H22O10","Ingredient_Smile": "CC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15629;SMIT18929","TCMID_id": "25678;8695","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxy-4-methoxy-phenylmethol-O-β-D-glucopyranosyl-(1→6 )-β-D-glucopyranoside
{"Ingredient_id": "HBIN008671","Ingredient_name": "3-hydroxy-4-methoxy-phenylmethol-O-\u03b2-D-glucopyranosyl-(1\u21926 )-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C22H22O10","Ingredient_Smile": "COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40199","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-methoxydaidzin
{"Ingredient_id": "HBIN008827","Ingredient_name": "3'-methoxydaidzin","Alias": "NA","Ingredient_formula": "C22H22O10","Ingredient_Smile": "COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8056","PubChem_id": "10527347","DrugBank_id": "NA"}
7-methoxykaempferol 3-o-α-l-rhamnopyra-noside
{"Ingredient_id": "HBIN013342","Ingredient_name": "7-methoxykaempferol 3-o-\u03b1-l-rhamnopyra-noside","Alias": "NA","Ingredient_formula": "C22H22O10","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13976","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acacetin-7-glucoside
{"Ingredient_id": "HBIN014296","Ingredient_name": "acacetin-7-glucoside","Alias": "NA","Ingredient_formula": "C22H22O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21446","PubChem_id": "44257884","DrugBank_id": "NA"}
acacetin-7-O-β-D-glucopyranoside
{"Ingredient_id": "HBIN014305","Ingredient_name": "acacetin-7-O-\u03b2-D-glucopyranoside","Alias": "NA","Ingredient_formula": "C22H22O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36102","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}