Exact Mass: 454.0923
Exact Mass Matches: 454.0923
Found 335 metabolites which its exact mass value is equals to given mass value 454.0923,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
epsilon-Viniferin
(7E,7R,8R)-epsilon-Viniferin is found in alcoholic beverages. (7E,7R,8R)-epsilon-Viniferin is isolated from leaves of wine grape (Vitis vinifera) infected with Botrytis cinere
SAICAR
SAICAR, also known as succinylaminoimidazolecarboxamide ribotide or phosphoribosylaminoimidazolesuccinocarboxamide, is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. SAICAR is converted from 5-aminoimidazole-4-carboxyribonucleotide (CAIR) via phosphoribosylaminoimidazolesuccinocarboxamide synthetase (EC: 6.3.2.6) or SAICAR synthase. This enzyme catalyzes the eighth step in the biosynthesis of purine nucleotides. SAICAR (a ribotide) can lose its phosphate group leading to the appearance of a riboside known as succinylaminoimidazolecarboxamide riboside (SAICAriboside) in cerebrospinal fluid, in urine, and, to a lesser extent, in plasma. This particular riboside (called SAICAr) is characteristic of a heritable deficiency known as adenylosuccinate lyase deficiency (ADSL). On the other hand, the ribotide (SAICAR) is generally harmless and is an essential intermediate in purine metabolism. When present in sufficiently high levels, SAICAR can act as an oncometabolite. An oncometabolite is a compound that promotes tumour growth and survival. As an oncometabolite, high levels of SAICAR stimulate pyruvate kinase isoform M2 and promote cancer cell survival in glucose-limited conditions such as aerobic glycolysis (PMID: 23086999). SAICAR (or (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate) is a substrate for the multifunctional protein ADE2. SAICAR is an intermediate in purine metabolism. (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate is converted from 5-Amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate via phosphoribosylaminoimidazole-succinocarboxamide synthase [EC: 6.3.2.6] or SAICAR synthase. This enzyme catalyses the seventh step out of ten in the biosynthesis of purine nucleotides. The appearance of succinylaminoimidazolecarboxamide riboside (SAICAriboside) and succinyladenosine (S-Ado) in cerebrospinal fluid, urine, and to a lesser extent in plasma is characteristic of a heritable deficiency Adenylosuccinate lyase deficiency. [HMDB]. SAICAR is found in many foods, some of which are sweet potato, black chokeberry, common wheat, and globe artichoke. SAICAR. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3031-95-6 (retrieved 2024-08-20) (CAS RN: 3031-95-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Carfecillin
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic ATC code: G01AA08
Ampelopsin D
Ampelopsin D is found in alcoholic beverages. Ampelopsin D is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). Ampelopsin D is found in alcoholic beverages and fruits.
trans-delta-Viniferin
trans-delta-Viniferin is found in alcoholic beverages. trans-delta-Viniferin is isolated from Vitis vinifera (wine grape
Carfecillin
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
Henagliflozin
delta-Viniferin
Delta-viniferin, also known as resveratrol (E)-dehydrodimer or delta-viniferin, is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Delta-viniferin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-viniferin can be found in grape wine, which makes delta-viniferin a potential biomarker for the consumption of this food product. Delta-viniferin is a resveratrol dehydrodimer. It is an isomer of epsilon-viniferin. It can be isolated from stressed grapevine (Vitis vinifera) leaves. It is also found in plant cell cultures. or in wine. It can also be found in Rheum maximowiczii . Delta-viniferin, also known as resveratrol (E)-dehydrodimer or δ-viniferin, is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Delta-viniferin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-viniferin can be found in grape wine, which makes delta-viniferin a potential biomarker for the consumption of this food product. Delta-viniferin is a resveratrol dehydrodimer. It is an isomer of epsilon-viniferin. It can be isolated from stressed grapevine (Vitis vinifera) leaves. It is also found in plant cell cultures. or in wine. It can also be found in Rheum maximowiczii .
Pallidol
Pallidol is a member of the class of compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. Pallidol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pallidol can be found in grape wine, which makes pallidol a potential biomarker for the consumption of this food product. Pallidol is a resveratrol dimer. It can be found in red wine, in Cissus pallida or in Parthenocissus laetevirens .
Pelargonidin 3-O-glucoside
Tivozanib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EK - Vascular endothelial growth factor receptor (vegfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Ampelopsin F
5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-
1,5-dihydroxy-3-methoxybenzene 1-O-(6?-O-galloyl)-beta-D-glucopyranoside|1,5-dihydroxy-3-methoxybenzene-1-O-(6-O-galloyl)-beta-D-glucopyranoside|1-beta-D-(6-O-galloyl)-glucopyranosyloxy-3-methoxy-5-hydroxybenzene|1-O-beta-D-(6O-galloyl)-glucopyranosyl-3-O-methoxy-5-hydroxybenzene
2,4-dihydroxy-6-methylphenyl 6-O-galloyl-beta-D-glucopyranoside|2,4-dihydroxy-6-methylphenyl beta-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)|myrsinoside A
6-O-(beta-D-glucopyranosyl)-5-hydroxy-7-phenyl-3H-benzo[de]isochromen-1-one
1,4-bis(4-hydroxyphenyl)-2,3-bis(3,5-dihydroxyphentyl)-(1E,3E)-butadiene|parthenocissin M
2-methoxy-4-hydroxyphenol 1-O-beta-(6-O-galloyl)glucopyranoside|2-Methyl,1-O-(6-O-3,4,5-trihydroxybenzoyl-beta-D-glucopyranoside)-1,2,4-Benzenetriol|4-hydroxy-2-methoxyphenol 1-O-beta-D-(6-galloyl)glucoside|4-hydroxy-2-methoxyphenol 1-O-beta-D-(6-O-galloyl)glucoside
3-O-beta-D-[6-(4-hydroxy-3,5-dimethoxybenzoyl)]glucopyranosyl-gamma-pyranone|6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-erigeroside|pyromeconic acid 3-O-beta-D-glucopyranoside 6-(O-4-hydroxy-3,5-dimethoxybenzoate)|pyromeconic acid 3-O-beta-D-glucopyranoside 6-O-(4-hydroxy-3,5-dimethoxybenzoate)
2,4-diacetoxy-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-benzo[b]carbazole-5-carbonitrile|Kinamycin D|Ninamycin D
CCG-1423
CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].
Kaempferol tetraacetate
Epsilon-Viniferin
(-)-trans-epsilon-viniferin is a stilbenoid that is the (-)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol. It has a role as a metabolite. It is a member of 1-benzofurans, a polyphenol and a stilbenoid. It is functionally related to a trans-resveratrol. It is an enantiomer of a (+)-trans-epsilon-viniferin. Epsilon-viniferin is a natural product found in Dipterocarpus grandiflorus, Dipterocarpus hasseltii, and other organisms with data available. A stilbenoid that is the (-)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.
Cyanidin 3-arabinoside
Cyanidin 3-arabinoside is a member of flavonoids and a glycoside. Cyanidin 3-arabinoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=27214-72-8 (retrieved 2024-09-27) (CAS RN: 27214-72-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.188 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.193
5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based on: CCMSLIB00000848542]
(2S,3S,4S,5R,6S)-6-(2,4-dihydroxy-3,6-diphenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid [IIN-based: Match]
CP-671305
CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4428; ORIGINAL_PRECURSOR_SCAN_NO 4426 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4422; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4452; ORIGINAL_PRECURSOR_SCAN_NO 4449 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4515; ORIGINAL_PRECURSOR_SCAN_NO 4511 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4416 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8758; ORIGINAL_PRECURSOR_SCAN_NO 8756 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8781; ORIGINAL_PRECURSOR_SCAN_NO 8779 INTERNAL_ID 361; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8781; ORIGINAL_PRECURSOR_SCAN_NO 8779 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8794; ORIGINAL_PRECURSOR_SCAN_NO 8792 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8805; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 361; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8809
Ala Cys Met Met
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Cys Thr Glu Cys
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Asp Cys Ser Met
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Asp Met Ser Cys
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Glu Cys Cys Thr
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Met Ala Cys Met
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Met Cys Ala Met
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Met Cys Met Ala
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Met Asp Ser Cys
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Met Met Cys Ala
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5-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
trans-delta-Viniferin
ampelopsin
5-iodo-7Z,10Z,13Z,16Z,19Z-docosapentaen-4-olide
[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methanol
Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate
3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1 ,3-thiazolidine
Ethyl 7-(benzyloxy)-4-{[(trifluoromethyl)sulfonyl]oxy}-2-naphthoa te
4-Methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-glucopyranoside
Dichlorisone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids Dichlorisone acetate is a synthetic glucocorticoid corticosteroid used as an anti-inflammatory agent.
Fenticonazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Quinolinium,1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, iodide (1:1)
ethyl 4,6-diphenylpyryliumtrifluoromethane-sulfonate-2-carboxylate
1-(3,5-Di-O-benzoyl-2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione
sodium 3-[[4-[(4-hydroxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate
Nafcillin sodium monohydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
5-Chloro-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-5-Chloro-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Sulfonamide
(+)-epsilon-Viniferin
Constituent of wine grapes Vitis vinifera. (7E,7S,8S)-epsilon-Viniferin is found in alcoholic beverages and fruits.
Quadrangularin A
An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.
Ampelopsin B
A heterotetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.
Cis-epsilon-viniferin
Isolated from wine grapes. cis-epsilon-Viniferin is found in fruits.
N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]thio]ethyl]-2-oxo-1-benzopyran-3-carboxamide
(R)-2-(4-((((2-((Benzo(1,3)dioxol-5-yl)oxy)pyridin-3-yl)carbonyl)amino)methyl)-3-fluorophenoxy)propionic acid
4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}butyl dihydrogen phosphate
(2s)-2-[3-(Aminomethyl)phenyl]-3-[(R)-Hydroxy{(1r)-2-Methyl-1-[(Phenylsulfonyl)amino]propyl}phosphoryl]propanoic Acid
4-{2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}butyl dihydrogen phosphate
Tivozanib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EK - Vascular endothelial growth factor receptor (vegfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide
CCG-1423 is an inhibitor of Rho/MRTF/SRF pathway. CCG-1423 shows activities in several cancer cells. CCG-1423 is a promising lead compound for the development of novel pharmacologic tools, and it can be used for the research of cancer and diabetes[1][2][3].
Cefotaxime(1-)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid
3-(3,5-Dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-4-hydroxystyryl]-2,3-dihydrobenzofuran
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[5-[(4-chlorophenoxy)methyl]-2-furanyl]methanone
4-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(+)-cis-epsilon-Viniferin
A stilbenoid that is the (+)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.
N-[4-(butylsulfamoyl)phenyl]-2-phenyl-2-(phenylthio)acetamide
N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
3,4,5-Trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
8-(4-Hydroxy-3-methoxyphenyl)-6-(4-methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione
(3aR,4S,9aR,9bS)-N,2-bis(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazine-4-carboxamide
(2-anilino-2-oxoethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
(2R,3S)-cis-epsilon-viniferin
A stilbenoid that is the (2R,3S)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.
(2S,3R)-cis-epsilon-viniferin
A stilbenoid that is the (2S,3R)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.
(2S,3R)-trans-epsilon-viniferin
A stilbenoid that is the (2S,3R)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.
7-[(3-Bromophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione
4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2R,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
4-fluoro-N-[2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
[(E)-4-[3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl]-2-methylbut-2-enyl] hydrogen sulate
3,4,5-Trihydroxy-6-[[3-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-9-yl]oxy]oxane-2-carboxylic acid
8,16-Dihydroxy-6-(6-hydroxy-1-benzouran-2-yl)-12-methyl-3,13-dioxapentacyclo[10.7.1.02,10.04,9.014,19]icosa-2(10),4,6,8,14(19),15,17-heptaen-11-one
sodium;(2R,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
SAICAR
A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3S)-trans-delta-viniferin
A stilbenoid that is the (2S,3S)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol.
(+)-trans-epsilon-viniferin
A stilbenoid that is the (+)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.
hydroxy-2-naphthalenyl-methyl phosphonic acid trisacetoxymethylester
An organic phosphonate that is the trisacetoxymethylester derivative of naphthalene substituted hydroxymethylphosphonic acid. It has been found to inhibit insulin receptor tyrosine kinase activity and insulin stimulated glucose oxidation.
(2R,3S)-trans-epsilon-viniferin
A stilbenoid that is the (2R,3S)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol.
(-)-cis-epsilon-viniferin
A stilbenoid that is the (-)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol.
Cefotaxime(1-)
A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime.
(2R,3R)-trans-delta-viniferin
A stilbenoid that is the (2R,3R)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol.
MK-3903
MK-3903 is a potent and selective AMP-activated protein kinase (AMPK) activator with an EC50 of 8 nM.
ML349
ML349 is a potent and specific acyl protein thioesterase 2(APT2)/lysophospholipase 2 (LYPLA2) inhibitor with a Ki of 120 nM. ML349 is also an inhibitor of LYPLA2 with an IC50 of 144 nM[1][2].
4-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-2-yl acetate
8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-3,5,12,14-tetrol
(4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate
4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,2-diol
3'-hydroxy-10'-(hydroxymethyl)-4,4,5,11'-tetramethyl-3,9',12'-trioxo-13'-thia-8',11'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.1.0¹,⁸.0³,⁷]tridecan]-4'-yl acetate
(1z,2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
(1e,2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
(4-oxo-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate
5-{5-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol
6-(acetyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl (3r)-3-hydroxybutanoate
7-epiphlomiol
{"Ingredient_id": "HBIN013183","Ingredient_name": "7-epiphlomiol","Alias": "NA","Ingredient_formula": "C17H26O14","Ingredient_Smile": "CC1(C(C(C2(C1(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O","Ingredient_weight": "454.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6996","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "24721557","DrugBank_id": "NA"}
albumin
{"Ingredient_id": "HBIN015092","Ingredient_name": "albumin","Alias": "NA","Ingredient_formula": "C23H22Cl2N5O+","Ingredient_Smile": "C[N+](C)(C)C.C1CC(=C(C1=CC(C#N)C#N)Cl)C=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32270","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
