Exact Mass: 478.1509
Exact Mass Matches: 478.1509
Found 500 metabolites which its exact mass value is equals to given mass value 478.1509
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kelampayoside A
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside is a glycoside. It has a role as a metabolite. Kelampayoside A is a natural product found in Strychnos axillaris, Cinnamomum iners, and other organisms with data available. Kelampayoside A is found in chinese cinnamon. Kelampayoside A is isolated from Cinnamomum cassia (Chinese cinnamon). A natural product found in Acer saccharum.
Lindleyin
Isolated from rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[6-galloylglucoside] is found in green vegetables and garden rhubarb. Lindleyin is found in garden rhubarb. Lindleyin is isolated from rhubar
Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside]
Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is found in herbs and spices. Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is a constituent of the leaves of clove Syzygium aromaticum. Constituent of the leaves of clove Syzygium aromaticum. Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside] is found in herbs and spices.
Persicogenin 3'-glucoside
Persicogenin 3-glucoside is found in almond. Persicogenin 3-glucoside is isolated from the stem bark of Prunus amygdalus (almond). Isolated from the stem bark of Prunus amygdalus (almond). Persicogenin 3-glucoside is found in nuts and almond.
Persiconin
Isolated from Persica vulgaris (peach) and Prunus species Persicogenin 5-glucoside is found in fruits and peach. Persiconin is found in fruits. Persiconin is isolated from Persica vulgaris (peach) and Prunus sp.
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate is found in beverages. Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate is a constituent of saffron (Crocus sativus)
Isolindleyin
Isolated from commercial rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloylglucoside] is found in green vegetables and garden rhubarb. Isolindleyin is found in garden rhubarb. Isolindleyin is isolated from commercial rhubarb.
4'-O-methyl-(-)-epicatechin-5-O-beta-glucuronide
4-O-methyl-(-)-epicatechin-5-O-beta-glucuronide is a cocoa metabolite from gut microflora. It is found n urine.
(R)-Pazinaclone
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Deshydroxyethoxy Ticagrelor
3,4-Dihydroxyphenylethanol-4-diglucoside
3,4-dihydroxyphenylethanol-4-diglucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4-dihydroxyphenylethanol-4-diglucoside can be found in olive, which makes 3,4-dihydroxyphenylethanol-4-diglucoside a potential biomarker for the consumption of this food product.
Nuomioside A
Calceolarioside B is a hydroxycinnamic acid. It has a role as a metabolite. Calceolarioside B is a natural product found in Plantago coronopus, Cassinopsis madagascariensis, and other organisms with data available. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1]. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1].
Lindleyin
Isolindleyin is a glycoside. CID 10390322 is a natural product found in Rheum palmatum with data available. Lindleyin is a glycoside. Lindleyin is a natural product found in Rheum officinale, Rheum palmatum, and Rheum with data available.
Calceolarioside
Calceolarioside A is a hydroxycinnamic acid. Calceolarioside A is a natural product found in Plantago coronopus, Cassinopsis madagascariensis, and other organisms with data available. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1]. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1].
Rocagloic acid
Rocagloic Acid is a natural product found in Aglaia rimosa, Aglaia rubiginosa, and other organisms with data available.
Phloretin 2-O-(6-O-acetylglucoside)
2,4,4-Trihydroxy-3,3-dimethoxychalcone 4-O-glucoside
7,3,4-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
5-hydroxy-6,7-dimethoxy-4-glucopyranoside flavone|5-hydroxy-6,7-dimethoxyflavone 4-O-D-glucose|flavone cirsitakaoside
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(4-hydroxy-3-methoxyphenyl)methanol-1-O-beta-D-gentobioside
scroside D
A disaccharide derivative that consists of hydroxytyrosol in which the alcoholic hydroxy group is glycosylated with a 3-O-beta-D-glucopyranosyl-D-glucopyranosyl residue. Isolated from Picrorhiza scrophulariiflora, it exhibits antioxidant activity.
1-(3,4-dihydroxy-phenyl)-4beta,5alpha,7,8-tetrahydroxy-benzo[10.11]-1-cycloheptene-4-O-beta-D-pyranosylglucoside|crassifoside D
5,7-Dimethoxy-taxifolin-3-O-alpha-L-rhamnopyranosid
(2E,4E)-5-[(3S)-5-acetyl-8-(beta-D-glucopyranosyloxy)-3,4-dihydro-6-methoxy-1-oxo-1H-2-benzopyran-3-yl]penta-2,4-dienal|(3S,11E,13E)-5-acetyl-8-(beta-D-glucopyranosyloxy)-6-methoxy-3-(oxopentadienyl)isochroman-1-one
Myrciacitrin I
A flavanone glycoside that is (2S)-flavanone substituted by methyl groups at positions 6 and 8, hydroxy groups at positions 5, 2 and 5 and a beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against alpha-glucosidase and aldose reductase.
4-hydroxy-3-methoxybenzyl alcohol 4-O-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranoside|adenophoraside E
(1S,4aS,7aS)-7-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid|hedycoryside C
5,7-dihydroxy-2,4-dimethoxy-isoflavanone 7-O-beta-glucopyranoside
1,2-dihydroxy-4,6-dimethoxybenzene 1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|2-hydroxy-4,6-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
4-[5-formyl-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenyl beta-D-glucopyranoside
2,4,6-trimethoxyphenol 1-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside|2,4,6-Trimethoxyphenyl 1-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
10-O-benzoylgeniposidic acid|rel-(1R,4aR,7aR)-7-[(benzoyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid|scyphiphorin A
4-hydroxymethyl-2,6-dimethoxyphenyl 1-O-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside|potalioside B
1-(4-hydroxyphenyl)ethane-1,2-diol-1,2-bis-O-beta-D-glucopyranoside
beta-D-glucopyranosyl-(6->1)-beta-D-rhamnosyl 3,4,5-trihydroxybenzoate
(1S,4aS,5R,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-1-{{6-O-[2-hydroxy-1-(hydroxymethyl)ethyl]-beta-D-glucoyranosyl}oxy}-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid methyl ester|6-O-(2-glyceryl)scandoside methyl ester
2,5-Bis-(beta-D-glucopyranosyloxy)-benzoesaeure|Gentisat-2,5-di-beta-D-glucosid
3,3-Di-Me ether-2,2,3,3,7,7-Hexahydroxy-1,1-biphenanthrene|3,3-dimethoxy-2,2,7,7-tetrahydroxy-1,1-biphenanthrene
Asp Glu Thr Asp
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate [IIN-based: Match]
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_major
(2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol_4.3\\%
Cys Asp Asn Gln
Cys Asp Gln Asn
Cys Glu Met Pro
Cys Glu Asn Asn
Cys Glu Pro Met
Cys Gly His Tyr
Cys Gly Asn Trp
Cys Gly Trp Asn
Cys Gly Tyr His
Cys His Gly Tyr
Cys His Tyr Gly
Cys Met Glu Pro
Cys Met Pro Glu
Cys Asn Asp Gln
Cys Asn Glu Asn
Cys Asn Gly Trp
Cys Asn Asn Glu
Cys Asn Gln Asp
Cys Asn Trp Gly
Cys Pro Glu Met
Cys Pro Met Glu
Cys Gln Asp Asn
Cys Gln Asn Asp
Cys Trp Gly Asn
Cys Trp Asn Gly
Cys Tyr Gly His
Cys Tyr His Gly
Asp Cys Asn Gln
Asp Cys Gln Asn
Asp Asp Glu Thr
Asp Asp Thr Glu
Asp Glu Cys Ile
Asp Glu Cys Leu
Asp Glu Asp Thr
Asp Glu Glu Ser
Asp Glu Ile Cys
Asp Glu Leu Cys
Asp Glu Ser Glu
Asp Ile Cys Glu
Asp Leu Cys Glu
Asp Leu Glu Cys
Asp Met Asp Val
Asp Met Val Asp
Asp Asn Cys Gln
Asp Asn Gln Cys
Asp Gln Cys Asn
Asp Gln Asn Cys
Asp Ser Glu Glu
Asp Thr Asp Glu
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Glu Ala Glu Met
Glu Ala Met Glu
Glu Cys Asp Ile
Glu Cys Asp Leu
Glu Cys Glu Val
Glu Cys Ile Asp
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Glu Cys Pro Met
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Glu Asp Ile Cys
Glu Asp Leu Cys
Glu Asp Ser Glu
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Glu Glu Ala Met
Glu Glu Cys Val
Glu Glu Asp Ser
Glu Glu Met Ala
Glu Glu Ser Asp
Glu Glu Val Cys
Glu Ile Cys Asp
Glu Ile Asp Cys
Glu Leu Cys Asp
Glu Leu Asp Cys
Glu Met Ala Glu
Glu Met Cys Pro
Glu Met Glu Ala
Glu Met Pro Cys
Glu Asn Cys Asn
Glu Asn Asn Cys
Glu Pro Cys Met
Glu Pro Met Cys
Glu Ser Asp Glu
Glu Ser Glu Asp
Glu Thr Asp Asp
Gly Cys His Tyr
Gly Cys Asn Trp
Gly Cys Trp Asn
Gly Cys Tyr His
Gly His Cys Tyr
Gly His Tyr Cys
Gly Asn Cys Trp
Gly Asn Trp Cys
Gly Trp Cys Asn
Gly Trp Asn Cys
Gly Tyr Cys His
Gly Tyr His Cys
His Cys Gly Tyr
His Cys Tyr Gly
His Gly Cys Tyr
His Gly Tyr Cys
His Tyr Cys Gly
His Tyr Gly Cys
Met Cys Glu Pro
Met Cys Pro Glu
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Asn Cys Asp Gln
Asn Cys Glu Asn
Asn Cys Gly Trp
Asn Cys Asn Glu
Asn Cys Gln Asp
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Asn Asp Cys Gln
Asn Asp Gln Cys
Asn Glu Cys Asn
Asn Glu Asn Cys
Asn Gly Cys Trp
Asn Gly Trp Cys
Asn Asn Cys Glu
Asn Asn Glu Cys
Asn Gln Cys Asp
Asn Gln Asp Cys
Asn Trp Cys Gly
Asn Trp Gly Cys
Pro Cys Glu Met
Pro Cys Met Glu
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Pro Glu Met Cys
Pro Met Cys Glu
Pro Met Glu Cys
Gln Cys Asp Asn
Gln Cys Asn Asp
Gln Asp Cys Asn
Gln Asp Asn Cys
Gln Asn Cys Asp
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Ser Asp Glu Glu
Ser Glu Asp Glu
Ser Glu Glu Asp
Thr Asp Asp Glu
Thr Asp Glu Asp
Thr Glu Asp Asp
Trp Cys Gly Asn
Trp Cys Asn Gly
Trp Gly Cys Asn
Trp Gly Asn Cys
Trp Asn Cys Gly
Trp Asn Gly Cys
Tyr Cys Gly His
Tyr Cys His Gly
Tyr Gly Cys His
Tyr Gly His Cys
Tyr His Cys Gly
Tyr His Gly Cys
4-O-methyl-(-)-epicatechin-5-O-beta-glucuronide
4-O-methyl-(-)-epicatechin-7-O-beta-glucuronide
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Kelampayoside A
Isolated from Cinnamomum cassia (Chinese cinnamon). Kelampayoside A is found in chinese cinnamon and herbs and spices.
isolindleyin
Eugenol O-[3,4,5-Trihydroxybenzoyl-(->6)-b-D-glucopyranoside]
(2-benzoyl-3-methylbenzoyl) 2-benzoyl-3-methylbenzenecarboperoxoate
BRL-15572
BRL-15572 dihydrochloride is a selective antagonist of h5-HT1D, displays high affinity for h5-HT1D receptors. BRL-15572 dihydrochloride could be useful pharmacological agents to characterise 5-HT1D receptor mediated responses[1].
B-Raf inhibitor 1
Raf inhibitor 1 is a potent Raf kinase inhibitor with Kis of 1 nM, 1 nM, and 0.3 nM for B-RafWT, B-RafV600E, and C-Raf, respectively.
7α-bromo-5,6β-epoxy-15β,16β-methylene-3β-pivaloyloxy-5β-androstan-17-one
3-((2S,5S)-5-((3R,5R)-3-hydroxy-6-iodo-5-methylhept-6-enyl)-4-methylenetetrahydrofuran-2-yl)propyl pivalate
Omidenepag
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
O-(((1r)-((N-Phenylmethoxycarbonyl-L-Alanyl)amino)ethyl)hydroxyphosphono)-L-Benzylacetic Acid
Buzepide metiodide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
1-Acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-YL)piperazine
AIDS-224552
Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1]. Calceolarioside B is a natural product isolated from Akebia quinata leaves. Calceolarioside B exhibits significant inhibitory activity against rat lens aldose reductase (RLAR) with an IC50 of 23.99 μM. Calceolarioside B displays inhibitory effect on DPPH radical scavenging activity with an IC50 of 94.60 μM [1].
AIDS-224551
[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
5-(2-Hydroxy-5-methyl-phenyl)-2H-pyrazole-3-carboxylic acid [4-(4,6-dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-amide
N-(2-Benzyl-4-oxo-3(4H)-quinazolinyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinoline-6-carboxamide
Myrciacitrin III
A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 5, methyl group at positions 6 and 8 and a beta-D-glucopyranosyloxy residue at position 2. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against aldose reductase.
N-[(5-chloro-8-hydroxy-7-quinolinyl)-(3,4-dimethoxyphenyl)methyl]-4-methoxybenzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide
6,7-Dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinyl)amino]-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
2,2-dimethyl-6,7-bis[(4-nitrophenyl)methoxy]-3H-chromen-4-one
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
(1S,9R,10R,11R)-12-(2-fluorobenzoyl)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
(1R,9S,10S,11S)-12-(2-fluorobenzoyl)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid
4-(5-Methyl-1-phenylpyrazole-4-carbonyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
3,4,5-Trihydroxy-6-[[8-(2-hydroxypropan-2-yl)-2-oxo-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-5-yl]oxy]oxane-2-carboxylic acid
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,5-dimethylphenyl)benzamide
3-[({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2,3-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,5-dimethylphenyl)benzamide
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-ethylphenyl)benzamide
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrate;hydrochloride
DM-4103
A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An oxobutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.
DX3-213B
DX3-213B is a highly potent, orally active oxidative phosphorylation (OXPHOS) complex I inhibitor (IC50=3.6 nM). DX3-213B impairs ATP generation (IC50=11 nM), and blocks MIA PaCa-2 cell growth (GI50=11 nM). DX3-213B is used for the research of the pancreatic cancer[1].
NCT-506
NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors with an IC50 of 7 nM[1].
[(2r,3s,4e)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-3-yl]methyl 4-hydroxybenzoate
(2r,3r,4s,5s,6r)-2-{[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6s)-6-{3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
3-[(2s,3r,4ar,6r,7s,8s,8ar)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dihydroxyphenyl)propan-1-one
4,5-dihydroxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2r,3s,4s,5r,6s)-2-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
(2r,3r,4r,5r,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(9r,9'r)-4,4',5,5'-tetrahydroxy-2,2'-dimethyl-9h,9'h-[9,9'-bianthracene]-10,10'-dione
(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2r)-2-(4-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy]oxane-3,4,5-triol
(2s)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-5-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(2s,3s,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-6-[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4-diol
(2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
7-[(benzoyloxy)methyl]-1-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)ethoxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[(2r,3s,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
1-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-hydroxy-7-methylidene-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylic acid
1,4',5',8-tetrahydroxy-2',6-dimethyl-9'h,10h-[2,9'-bianthracene]-9,10'-dione
3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl (3r,5r)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
5-hydroxy-6,7-dimethoxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
(1r,4ar,7ar)-7-[(benzoyloxy)methyl]-1-{[(2r,3r,4s,5s,6s)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 2-methyl-6-oxohepta-2,4-dienoate
(1s,4as,7as)-7-[(benzoyloxy)methyl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(2s,3r,4s,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-{[9-(3,4-dihydroxyphenyl)-2,3,5-trihydroxy-6,7-dihydro-5h-benzo[7]annulen-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4,5'-dimethoxy-[1,1'-biphenanthrene]-2,4',5,7'-tetrol
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,7as)-7-(hydroxymethyl)-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2,4,6-trimethoxyphenyl 1-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN004251","Ingredient_name": "2,4,6-trimethoxyphenyl 1-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H30O13","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3',4',5,7-tetrahydroxy-6,8-dimethylflavanone; (s)-form,o-glucoside
{"Ingredient_id": "HBIN007256","Ingredient_name": "3',4',5,7-tetrahydroxy-6,8-dimethylflavanone; (s)-form,o-glucoside","Alias": "NA","Ingredient_formula": "C23H26O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8331","PubChem_id": "NA","DrugBank_id": "NA"}
aquaticoside c
{"Ingredient_id": "HBIN016536","Ingredient_name": "aquaticoside c","Alias": "NA","Ingredient_formula": "C23H26O11","Ingredient_Smile": "C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1540","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
blestrin D
{"Ingredient_id": "HBIN018666","Ingredient_name": "blestrin D","Alias": "blestrin d","Ingredient_formula": "C30H22O6","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)C=CC3=C2C=CC(=C3)OC4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)O","Ingredient_weight": "478.5 g/mol","OB_score": "12.66280736","CAS_id": "NA","SymMap_id": "SMIT07494","TCMID_id": "2514","TCMSP_id": "MOL005782","TCM_ID_id": "6161","PubChem_id": "101634591","DrugBank_id": "NA"}