Exact Mass: 448.1542
Exact Mass Matches: 448.1542
Found 500 metabolites which its exact mass value is equals to given mass value 448.1542
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-[2-[(4-carboxy-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoic acid
Isosakuranin
Puddumin B is found in fruits. Puddumin B is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus subspecies Isosakuranetin 7-glucoside is found in fruits. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].
Piperenol C
Piperenol C is found in herbs and spices. Piperenol C is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Piperenol C is found in herbs and spices.
7-Hydroxy-8-O-methylaloin B
7-Hydroxy-8-O-methylaloin A is a constituent of Aloe vera leaf
Artonol E
Artonol E is found in breadfruit. Artonol E is a constituent of the bark of Artocarpus communis (breadfruit) Constituent of the bark of Artocarpus communis (breadfruit). Artonol E is found in breadfruit and fruits.
Cycloartomunin
Cycloartomunin is found in breadfruit. Cycloartomunin is isolated from the root bark of Artocarpus communis (breadfruit). Isolated from the root bark of Artocarpus communis (breadfruit). Cycloartomunin is found in breadfruit and fruits.
Chalconosakuranetin
Chalconosakuranetin is found in black walnut. Chalconosakuranetin is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus cerasoides (wild Himalayan cherry). Chalconosakuranetin is found in black walnut and fruits.
Aromadendrin 4'-methyl ether 7-rhamnoside
Aromadendrin 4-methyl ether 7-rhamnoside is found in citrus. Aromadendrin 4-methyl ether 7-rhamnoside is a constituent of the fruit of orange (Citrus sinensis). Constituent of the fruit of orange (Citrus sinensis). Aromadendrin 4-methyl ether 7-rhamnoside is found in sweet orange and citrus.
Cycloartomunoxanthone
Cycloartomunoxanthone is found in breadfruit. Cycloartomunoxanthone is a constituent of the roots of Artocarpus communis (breadfruit) Constituent of the roots of Artocarpus communis (breadfruit). Cycloartomunoxanthone is found in breadfruit and fruits.
Armillaridin
Armillaridin is found in mushrooms. Armillaridin is from Armillaria mellea (honey mushroom From Armillaria mellea (honey mushroom). Armillaridin is found in mushrooms.
Puddumin A
Constituent of Prunus cerasoides (wild Himalayan cherry). 5-Methylnaringenin 7-glucoside is found in fruits. Puddumin A is found in fruits. Puddumin A is a constituent of Prunus cerasoides (wild Himalayan cherry).
8-O-Acetyl shanzhiside methyl ester
Ethyl [3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate
Lirequinil
Pranidipine
3-O-Methyl 5-O-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
Sakuranin
Sakuranin is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, sakuranin is considered to be a flavonoid lipid molecule. Sakuranin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sakuranin can be found in black walnut and prunus (cherry, plum), which makes sakuranin a potential biomarker for the consumption of these food products. Sakuranin is a flavanone, a type of flavonoid. It is the O-glucoside of sakuranetin. It can be found in Prunus sp .
Dihydrowogonin 7-glucoside
Dihydrowogonin 7-glucoside 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. Dihydrowogonin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrowogonin 7-glucoside can be found in sour cherry, which makes dihydrowogonin 7-glucoside a potential biomarker for the consumption of this food product.
anacardoside
Orcinol gentiobioside is a natural product found in Semecarpus anacardium and Curculigo orchioides with data available. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1]. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1].
Isosakuranin
Isosakuranin is a member of flavonoids and a glycoside. CID 102004611 is a natural product found in Prunus leveilleana, Prunus verecunda, and other organisms with data available. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].
Barlerin
8-O-Acetyl shanzhiside methyl ester is a natural product found in Barleria lupulina, Phlomoides umbrosa, and other organisms with data available. Barlerin (8-O-Acetyl shanzhiside methyl ester) is an iridoid glucoside isolated from the leaves of Lamiophlomis rotata Kudo, a Chinese folk medicinal plant in Xi-zang. Barlerin (8-O-Acetyl shanzhiside methyl ester) could inhibt NF-κB. Barlerin (8-O-Acetyl shanzhiside methyl ester) is an iridoid glucoside isolated from the leaves of Lamiophlomis rotata Kudo, a Chinese folk medicinal plant in Xi-zang. Barlerin (8-O-Acetyl shanzhiside methyl ester) could inhibt NF-κB.
Orcinol
Orcinol gentiobioside is a natural product found in Semecarpus anacardium and Curculigo orchioides with data available. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1]. Orcinol gentiobioside (compound 4) is a natural product isolated from the rhizomes of C. breviscapa[1].
Artomunoxanthone
Cycloartomunin
Cycloartomunoxanthone
Dihydrokaempferide 7-rhamnoside
(1S)-1-(4-hydroxyphenyl)ethane-1,2-diol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(1S)-1-(4-Hydroxyphenyl)ethane-1,2-diol 2-O-??-D-Apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
5,6-dihydroxy-8-methoxy-2,7-dimethyl-4H-naphtho[2,3-b]pyran-4-one 6-O-beta-D-glucopyranoside|quinquangulin-6-O-beta-D-glucopyranoside
2-hydroxy-5-(2-hydroxyethyl)phenyl O-alpha-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside|miliusoside A
2,2,2,2-tetramethyl-2H,2H-[5,5]bi[benzo[h]chromenylidene]-6,6-dione|2,2,2,2-Tetramethyl-2H,2H-[5,5]bi[benzo[h]chromenyliden]-6,6-dion|dehydrotectol
2-(beta-D-glucopyranosyloxy>-8-hydroxy-3-methyl-9,10-anthraquinone
(2S,3R,5R,6S)-2,3,5,6-tetrahydroxy-4-[2-(4-hydroxyphenyl)acetyl]oxycyclohexyl-2-(4-hydroxyphenyl)acetate
3,4-Dihydroxyphenylethanol-8-O-[??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside
2-(3,4-dihydroxyphenyl)ethyl 6-O-beta-D-xylopyranosyl-beta-D-allopyranoside|2-(3,4-dihydroxyphenyl)ethyl O-beta-D-xylopyranosyl-(1->6)-beta-D-allopyranoside
2-(3,4-dihydroxyphenyl)ethyl 2-O-beta-D-xylopyranosyl-beta-D-allopyranoside|rebouoside A
3-hydroxyl-5-methyphenol-1-O-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranoside]
1,2-dihydroxy-4-methoxybenzene 1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|2-hydroxy-4-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
4-hydroxy-3-methoxybenzyl 4-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside
(10S)10-C-beta-glucopyranosyl-1,8-dihydroxy-3-methyl-6-methoxy-9(10H)-anthracenone|patientoside B
3,4-dihydroxyphenylethano1-8-O-[beta-D-apiofuranosyl(1?2)]-beta-D-glucopyranoside
2,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
(-)-4-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy]benzyl alcohol
3,4-dimethoxyphenol beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenol beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|3,4-Dimethoxyphenol ??-D-apiofuranosyl(1鈥樏傗垎6)-??-D-glucopyranoside|3,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenyl 1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-dimethoxyphenyl beta-D?apiofuranosyl-(1?6)-beta-D-glucopyranoside
2,4,6-trihydroxy-4-methoxydihydrochalcone 2-O-beta-D-ribohexo-3-ulopyranoside|asebogenin 2-O-beta-D-ribohexo-3-ulopyranoside
3,4-Dihydroxyphenylethanol-8-O-[??-D-apiofuranosyl(1鈥樏傗垎3)]-??-D-glucopyranoside
4-hydroxy-3-methoxybenzyl-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside|bretschneideroside C
3,4-dimethoxyphenyl-1-O-beta-D-apiofuranosyl (1->2)-beta-D-glucopyranoside
8-[(E)-4-phenylprop-2-en-1-one]-2-(3-methoxy-4-hydroxyphenyl)-3,4-dihydro-2H-2-benzopyran-5-methoxy-3,7-diol
(S)-3-(4-beta-glucopyranosyloxybenzyl)-7-hydroxy-5-methoxyphthalide
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-acetyl)-beta-D-glucoside|(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-(6-O-acetyl)-glucoside|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-acetyl)-??-D-glucopyranoside
2-(3,4-dihydroxyphenyl) ethyl-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|2-(4-hydroxyphenyl)ethyl beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|cuneataside C|osmanthuside H
(+)-4-[alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyloxy]benzyl alcohol
1,2-bis-O-(2-methoxybenzoyl)-beta-D-glucopyranoside
3-methoxy-4-hydroxyphenyl-1-O-alpha-L-rhamnopyranosyl-(1-6)-beta-D-glucopyranoside|cuneataside D
2-(4-hydroxy-3-methoxyphenyl)ethanol 1-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Tolvaptan
C - Cardiovascular system > C03 - Diuretics > C03X - Other diuretics > C03XA - Vasopressin antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist D045283 - Natriuretic Agents > D065092 - Antidiuretic Hormone Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents
2-(3,4-dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
Ala Asp Asp Glu
Ala Asp Glu Asp
Ala Glu Asp Asp
Cys Glu Pro Thr
Cys Glu Thr Pro
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Cys Pro Thr Glu
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Asp Ala Glu Asp
Asp Asp Ala Glu
Asp Asp Glu Ala
Asp Glu Ala Asp
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Asp Glu Glu Gly
Asp Glu Gly Glu
Asp Gly Glu Glu
Asp Met Pro Ser
Asp Met Ser Pro
Asp Asn Asn Ser
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Asp Pro Met Ser
Asp Pro Ser Met
Asp Ser Met Pro
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Asp Ser Pro Met
Glu Ala Asp Asp
Glu Cys Pro Thr
Glu Cys Thr Pro
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Glu Asp Asp Ala
Glu Asp Glu Gly
Glu Asp Gly Glu
Glu Glu Asp Gly
Glu Glu Gly Asp
Glu Gly Asp Glu
Glu Gly Glu Asp
Glu Pro Cys Thr
Glu Pro Thr Cys
Glu Thr Cys Pro
Glu Thr Pro Cys
Gly Asp Glu Glu
Gly Glu Asp Glu
Gly Glu Glu Asp
Met Asp Pro Ser
Met Asp Ser Pro
Met Pro Asp Ser
Met Pro Ser Asp
Met Ser Asp Pro
Met Ser Pro Asp
Asn Asp Asn Ser
Asn Asp Ser Asn
Asn Asn Asp Ser
Asn Asn Ser Asp
Asn Ser Asp Asn
Asn Ser Asn Asp
Pro Cys Glu Thr
Pro Cys Thr Glu
Pro Asp Met Ser
Pro Asp Ser Met
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Pro Met Ser Asp
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Pro Thr Glu Cys
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Ser Asp Pro Met
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Ser Asn Asn Asp
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Ser Pro Met Asp
Thr Cys Glu Pro
Thr Cys Pro Glu
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Thr Pro Glu Cys
7-Hydroxy-8-O-methylaloin B
Armillaridin
Pranidipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
4-Methoxyphenyl 4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranoside
Benzothiazolium, 2-[3-[1-(2-hydroxyethyl)-4(1H)-quinolinylidene]-1-propen-1-yl]-3-methyl-, tetrafluoroborate(1-)
Allyl 3-O-benzyl-2-O-p-tolylsulfonyl-a-L-rhamnopyranoside
1-[(4-Carboxyphenyl)methyl]-2-methyl-1,2-hydrazinedicarboxylic acid bis(phenylmethyl) ester
3,5-di-o-acetyl-5-fluoro-o4-(2,4,6-trimethylphenyl)-2-deoxyuridine
10-chloro-1-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
1,3-BIS-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-THIOUREA
chloromethylphenethyltris(trimethylsiloxy)silane,mixed m-,p- ,a-,b-isomers
DIPHENYL ((5-FLUORO-6-METHYLPYRIDIN-2-YL)(PHENYLAMINO)METHYL)PHOSPHONATE
(3,4-Dimethoxybenzyl)-triphenylphosphonium chloride
Pamicogrel
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester
4-(4-Methylpiperazin-1-Yl)-N-[5-(2-Thienylacetyl)-1,5-Dihydropyrrolo[3,4-C]pyrazol-3-Yl]benzamide
2-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
2-(3,4-Dimethoxyphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoyl]oxyoxane-2-carboxylic acid
3-O-Methyl 5-O-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
(2R)-7-hydroxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Staphyloferrin B
A siderophore composed from L-2,3-diaminopropionic acid, citric acid, 1,2-diaminoethane and alpha-ketoglutaric acid units.
4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
A natural product found in Acer saccharum.
3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]triazole-4-carboxamide
Alvaradoin N
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
8-(2-Furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
1-[(4-Fluorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanone
(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-(4-oxo-1-benzopyran-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester
5-(3-Butoxyphenyl)-1-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
N-[(2-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(2S,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
1-[(1S,2aS,8bS)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone
[(1S,2aS,8bS)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone
N-[(2-fluorophenyl)methyl]-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(2-fluorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(2S,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
1-[(1R,2aR,8bR)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aR,8bR)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aS,8bS)-2-(benzenesulfonyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-methoxyphenyl)methanone
[(1S,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone
[(1R,2aR,8bR)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone
[(1R,2aS,8bS)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone
(Z)-2-Cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
2-Carboxyethyl-[7-[ethyl(3-sulfopropyl)amino]phenoxazin-3-ylidene]-methylazanium
RS 17053 hydrochloride
RS 17053 hydrochloride is a potent and selective α1A adrenoceptor antagonist, with a pKi value of 9.1 in native cell membrane and a pA2 value of 9.8 in functional assays.
TG6-10-1
TG6-10-1 is an EP2 antagonist, shows low-nanomolar antagonist activity against only EP2, >300-fold selectivity over human EP3, EP4, and IP receptors, 100-fold selectivity over EP1 receptors[1].
VU6012962
VU6012962 is an orally bioavailable and CNS-penetrant metabotropic glutamate receptor 7 negative allosteric modulator (mGlu7 NAM) with an IC50 of 347 nM[1].
(2s,3r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-2,3-diol
benzyl 2-{[(2s,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxybenzoate
5-{2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene}-2,2-dimethylbenzo[g]chromen-10-one
(3r)-3-(3-hydroxy-4-methoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
(3s)-7-hydroxy-5-methoxy-3-[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-3h-2-benzofuran-1-one
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3r,4r,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
[(2r,3r,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
(3s)-3-(4-hydroxy-3-methoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
9-{[(2z)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one
1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(2s,3r,4s,5r)-2-{[(2r,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
(2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
methyl 7-[(acetyloxy)methyl]-7-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
[(2r,3s,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methoxybenzoyloxy)oxan-2-yl 2-methoxybenzoate
(2e)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one
(2s,3r,4s,5s,6r)-2-(4-hydroxy-3-methoxyphenoxy)-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s,3s,5r,6r)-3,5-dihydroxy-2-{3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxan-4-one
3-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
11-{indolo[3,2-b]quinolin-10-yl}-5-methylindolo[3,2-b]quinoline
(1s,4as,5r,7s,7as)-5-(acetyloxy)-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl acetate
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(4-hydroxy-3-methoxyphenyl)methoxy]oxane-3,4,5-triol
8-hydroxy-1-methoxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroanthracene-9,10-dione
methyl (2r,4s)-4-{6,14-dihydroxy-13-methoxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-15-yl}-2-hydroxy-4-methoxybutanoate
(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (2e)-3-(2-hydroxyphenyl)prop-2-enoate
methyl (1s,4ar,7s,7as)-7-(acetyloxy)-4a-hydroxy-7-methyl-1-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
(2s,3r,4s,5s,6r)-2-(3-hydroxy-5-methylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2r)-7-hydroxy-5-methoxy-2-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
(2r,3s,4s,5r,6s)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-(hydroxymethyl)oxane-3,4-diol
(2s,3r,4s,5r,6r)-2-{[(1r,10r)-15-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaen-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,4as,5r,7s,7as)-7-(acetyloxy)-5-hydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
(1's)-1'-(4-hydroxyphenyl)ethane-1',2'-diol2'-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN003180","Ingredient_name": "(1's)-1'-(4-hydroxyphenyl)ethane-1',2'-diol2'-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "C1C(C(C(O1)OCC2C(C(C(C(O2)OCC(C3=CC=C(C=C3)O)O)O)O)O)O)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10604","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-o-β-d-glucopyranosylsalicin
{"Ingredient_id": "HBIN006201","Ingredient_name": "2'-o-\u03b2-d-glucopyranosylsalicin","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "C1=CC=C(C(=C1)CO)OC2C(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": "8730","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxyphenylethanol-8-o-[β-d-apio-furanosyl(1→2)]-β-d-glucopyranoside
{"Ingredient_id": "HBIN007416","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[\u03b2-d-apio-furanosyl(1\u21922)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6075","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydroxyphenylethanol-8-o-[β-d-apio-furanosyl(1→3)]-β-d-glucopyranoside
{"Ingredient_id": "HBIN007417","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[\u03b2-d-apio-furanosyl(1\u21923)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "C1C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)CO)O)O)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6076","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dimethoxyphenolβ-d-apiofuranosyl(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN007435","Ingredient_name": "3,4-dimethoxyphenol\u03b2-d-apiofuranosyl(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O12","Ingredient_Smile": "COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6272","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4''-hydroxyimperatorin 4''-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN010543","Ingredient_name": "4''-hydroxyimperatorin 4''-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)COC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15861","TCMID_id": "10230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-O-acetyl shanzhiside methyl ester
{"Ingredient_id": "HBIN012612","Ingredient_name": "6-O-acetyl shanzhiside methyl ester","Alias": "6-o-acetylshanzhiside methyl ester","Ingredient_formula": "C19H28O12","Ingredient_Smile": "CC(=O)OC1CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)(C)O","Ingredient_weight": "448.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35397;510","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "24150641","DrugBank_id": "NA"}
7-hydroxy-8-o-methylaloin a
{"Ingredient_id": "HBIN013262","Ingredient_name": "7-hydroxy-8-o-methylaloin a","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "NA","Ingredient_weight": "448.426","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7442","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-acetyl shanzhiside methyl ester
{"Ingredient_id": "HBIN013843","Ingredient_name": "8-o-acetyl shanzhiside methyl ester","Alias": "8-o-acetylshanzhiside methyl ester; 8-o-acetyl shanzhiside methylester","Ingredient_formula": "C19H28O12","Ingredient_Smile": "CC(=O)OC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)C","Ingredient_weight": "448.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30573;24954;511","TCMSP_id": "NA","TCM_ID_id": "7335","PubChem_id": "138114877","DrugBank_id": "NA"}
biochanin-7-glucoside
{"Ingredient_id": "HBIN018522","Ingredient_name": "biochanin-7-glucoside","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}