Exact Mass: 454.1327
Exact Mass Matches: 454.1327
Found 500 metabolites which its exact mass value is equals to given mass value 454.1327
,
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
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
KB 2
Constituent of Artocarpus communis (breadfruit). KB 2 is found in breadfruit and fruits. KB 2 is found in breadfruit. KB 2 is a constituent of Artocarpus communis (breadfruit).
(6R)-5,10-methenyltetrahydrofolate
(6R)-5,10-methenyltetrahydrofolate is also known as Anhydroleucovorin. (6R)-5,10-methenyltetrahydrofolate is considered to be practically insoluble (in water) and acidic
Carfecillin
Henagliflozin
A-D-Glucopyranoside,6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-B-D-fructofuranosyl, 6-acetate2,3,4-tris(2-methylpropanoate)
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
7,8,3,4,5-Pentamethoxy-6,6-dimethylpyrano[2,3:5,6]flavone
2-C-hydroxy-7,8-secoeranthin beta-D-glucopyranoside
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
7-[(beta-D-glucopyranosyl)oxy]-5-hydroxy-2-hydroxymethyl-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-4H-1-benzopyran-4-one
(2R*,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f]-[1]benzofuro-5-one|(2S*,5aS,10bR)-5a,10b-dihydro-4,5a,8-trihydroxy-2-(1-hydroxy-1-methylethyl)-10b-(3-methyl-2-buten-1-yl)-2H,3H,6H-benzofuro[3,2-b]pyrano[3,2-f][1]benzofuro-5-one|nigrasin C|nigrasin D
(3R*,6aS,11bR)-6a,11b-dihydro-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methyl-2-buten-1-yl)-2H,4H,6H-benzofuro[3,2-b]pyrano[3,2-g][1]benzopyran-6-one|(3S*,6aS,11bR)-6a,11b-dihydro-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methyl-2-buten-1-yl)-2H,4H,6H-benzofuro[3,2-b]pyrano[3,2-g][1]benzopyran-6-one|nigrasin A|nigrasin B
8-O-acetyl-4beta-hydroxy-3alpha-methoxy-dihydroharpagide|ajureptaside A
3-[3-(3,4-dihydroxybenzyl)-6-hydroxy-2,4-dimethoxyphenyl]-1-(5-hydroxy-2-methoxyphenyl)propan-1-one|alpha,beta-dihydro-3,6-dihydroxy-2,4,6-trimethoxy-3-(3,4-dihydroxybenzyl)chalcone
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
(E)-trimethyl 1-hydroxy-3-(3-(4-hydroxy-3-methoxyphenyl)acryloyloxy)pentane-1,3,5-tricarboxylate
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)
1alpha,9beta-difuranoyloxy-2-oxo-3-enedihydro-beta-agarofuran
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
Acegastrodine
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.
methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate
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
methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate
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 Asp Phe
Ala Cys Phe Asp
Ala Cys Met Met
Ala Asp Cys Phe
Ala Asp Phe Cys
Ala Asp Ser Tyr
Ala Asp Tyr Ser
Ala Phe Cys Asp
Ala Phe Asp Cys
Ala Met Cys Met
Ala Met Met Cys
Ala Ser Asp Tyr
Ala Ser Tyr Asp
Ala Tyr Asp Ser
Ala Tyr Ser Asp
Cys Ala Asp Phe
Cys Ala Phe Asp
Cys Ala Met Met
Cys Cys Glu Thr
Cys Cys Met Val
Cys Cys Thr Glu
Cys Cys Val Met
Cys Asp Ala Phe
Cys Asp Phe Ala
Cys Asp Met Ser
Cys Asp Ser Met
Cys Glu Cys Thr
Cys Glu Phe Gly
Cys Glu Gly Phe
Cys Glu Thr Cys
Cys Phe Ala Asp
Cys Phe Asp Ala
Cys Phe Glu Gly
Cys Phe Gly Glu
Cys Gly Glu Phe
Cys Gly Phe Glu
Cys Met Ala Met
Cys Met Cys Val
Cys Met Asp Ser
Cys Met Met Ala
Cys Met Ser Asp
Cys Met Thr Thr
Cys Met Val Cys
Cys Ser Asp Met
Cys Ser Met Asp
Cys Thr Cys Glu
Cys Thr Glu Cys
Cys Thr Met Thr
Cys Thr Thr Met
Cys Val Cys Met
Cys Val Met Cys
Asp Ala Cys Phe
Asp Ala Phe Cys
Asp Ala Ser Tyr
Asp Ala Tyr Ser
Asp Cys Ala Phe
Asp Cys Phe Ala
Asp Cys Met Ser
Asp Cys Ser Met
Asp Phe Ala Cys
Asp Phe Cys Ala
Asp Phe Ser Ser
Asp Gly Thr Tyr
Asp Gly Tyr Thr
Asp Met Cys Ser
Asp Met Ser Cys
Asp Ser Ala Tyr
Asp Ser Cys Met
Asp Ser Phe Ser
Asp Ser Met Cys
Asp Ser Ser Phe
Asp Ser Tyr Ala
Asp Thr Gly Tyr
Asp Thr Tyr Gly
Asp Tyr Ala Ser
Asp Tyr Gly Thr
Asp Tyr Ser Ala
Asp Tyr Thr Gly
Glu Cys Cys Thr
Glu Cys Phe Gly
Glu Cys Gly Phe
Glu Cys Thr Cys
Glu Phe Cys Gly
Glu Phe Gly Cys
Glu Gly Cys Phe
Glu Gly Phe Cys
Glu Gly Ser Tyr
Glu Gly Tyr Ser
Glu Ser Gly Tyr
Glu Ser Tyr Gly
Glu Thr Cys Cys
Glu Tyr Gly Ser
Phe Ala Cys Asp
Phe Ala Asp Cys
Phe Cys Ala Asp
Phe Cys Asp Ala
Phe Cys Glu Gly
Phe Cys Gly Glu
Phe Asp Ala Cys
Phe Asp Cys Ala
Phe Glu Cys Gly
Phe Glu Gly Cys
Phe Gly Cys Glu
Phe Gly Glu Cys
Gly Cys Glu Phe
Gly Cys Phe Glu
Gly Glu Cys Phe
Gly Glu Phe Cys
Gly Phe Cys Glu
Gly Phe Glu Cys
Met Ala Cys Met
Met Ala Met Cys
Met Cys Ala Met
Met Cys Cys Val
Met Cys Asp Ser
Met Cys Met Ala
Met Cys Ser Asp
Met Cys Thr Thr
Met Cys Val Cys
Met Asp Cys Ser
Met Asp Ser Cys
Met Met Ala Cys
Met Met Cys Ala
Met Met Ser Ser
Met Ser Cys Asp
Met Ser Asp Cys
Met Ser Met Ser
Met Ser Ser Met
Met Thr Cys Thr
Met Thr Thr Cys
Met Val Cys Cys
Ser Cys Asp Met
Ser Cys Met Asp
Ser Asp Cys Met
Ser Asp Met Cys
Ser Met Cys Asp
Ser Met Asp Cys
Ser Met Met Ser
Ser Met Ser Met
Ser Ser Met Met
Thr Cys Cys Glu
Thr Cys Glu Cys
Thr Cys Met Thr
Thr Cys Thr Met
Thr Glu Cys Cys
Thr Met Cys Thr
Thr Met Thr Cys
Thr Thr Cys Met
Thr Thr Met Cys
Val Cys Cys Met
Val Cys Met Cys
Val Met Cys Cys
5,2,4,5-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6,6-dimethylpyrano[2,3:7,8]flavone
His-TyrMe-OH
trans-delta-Viniferin
ampelopsin
5-iodo-7Z,10Z,13Z,16Z,19Z-docosapentaen-4-olide
Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate
4-methoxyphenyl 2,3,4,6-tetra-o-acetyl-beta-d-glucopyanoside
Sucrose acetate isobutyrate
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.
4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSIDE
4-methoxyphenyl 2,3,4,6-tetra-o-acetyl-alpha-d-mannopyranoside
3-(3-Fluorophenyl)-1-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-2-propen-1-one
LOFEPRAMINE HYDROCHLORIDE
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
1-(3,5-Di-O-benzoyl-2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione
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
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
Vatinoxan Hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
(+)-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.
Phenol, 4-((5-(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-2-phenazinyl)amino)-
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
(6R)-5,10-methenyltetrahydrofolate
A dicarboxylic acid anion arising from deprotonation of both carboxylic acid functions of (6R)-5,10-methenyltetrahydrofolic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(3,5-Dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-4-hydroxystyryl]-2,3-dihydrobenzofuran
nigrasin C
An extended flavonoid that is 2,3,5a,10b-tetrahydro-5H-[1]benzofuro[3,2-b]furo[3,2-g]chromene substituted by hydroxy groups at positions 4, 5a and 8, a 2-hydroxypropan-2-yl group at position 2, a prenyl group at position 10b and an oxo group at position 5. It has been isolated from the twigs of Morus nigra.
nigrasin D
An extended flavonoid that is the 2R*-diastereomer of nigrasin C. It has been isolated from the twigs of Morus nigra.
nigrasin A
An extended flavonoid that is 3,4,6a,11b-tetrahydro-2H,6H-[1]benzofuro[3,2-b]pyrano[3,2-g]chromene substituted by hydroxy groups at positions 3, 5, 6a and 9, geminal methyl groups at positions 2, an oxo group at position 6 and a prenyl group at position 11b. It has been isolated from the twigs of Morus nigra.
nigrasin B
An extended flavonoid that is the 3S*-diastereomer of nigrasin A. It has been isolated from the twigs of Morus nigra.
6-[(2r)-4-(4-Benzyl-7-Chlorophthalazin-1-Yl)-2-Methylpiperazin-1-Yl]pyridine-3-Carbonitrile
[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
(+)-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
4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide
N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
N-[(4-chlorophenyl)methyl]-5,12-dioxo-2R-phenyl-1-oxa-4-azacyclododec-8E-ene-6S-acetamide
(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.
4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]benzamide
[(3aS,4S,9bS)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(2S,3R)-3-phenyl-1-(phenylmethyl)sulfonyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
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
[(3aR,4R,9bR)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
(6S,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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
[(3aR,4S,9bR)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
(6S,7S,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-4-[(2-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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
(2R,5S)-1,4-Dimethyl-2-hydroxy-2-(3,4-dihydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione
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
4,7-DI(Para-ethoxyphenyl)-6-(pyridin-4-YL)-1,2,5-thiadiazolo(3,4-C)pyridine
(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.
S-hexanoyl-4-phosphopantetheine(2-)
An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-hexanoyl-4-phosphopantetheine; major species at pH 7.3.
(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].
SIRT6 activator 12q
SIRT6 activator 12q is potent, selective and orally active SIRT6 activator with IC50 values of 171.20, >200, >200, >200, 0.58 μM for SIRT1, SIRT2, SIRT3, SIRT5, SIRT6, respectively. SIRT6 activator 12q inhibits cell growth and migration. SIRT6 activator 12q induces Apoptosis and cell cycle arrest at G2 phase. SIRT6 activator 12q shows anticancer activity[1].
5-acetyl-3,10,10,14,18-pentamethyl-20-methylidene-9,17,19-trioxahexacyclo[9.7.1.1³,¹⁵.0¹,¹⁵.0⁵,¹⁴.0⁶,¹¹]icos-6-ene-2,8,12,16-tetrone
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
ethyl (2r)-4-hydroxy-2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
5,7-dihydroxy-2-(hydroxymethyl)-8-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl)chromen-4-one
(4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate
4-hydroxy-2-(2-hydroxypropan-2-yl)-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h,3h-furo[3,2-g]chromen-5-one
4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,2-diol
4-hydroxy-6-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
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
16-(2-hydroperoxypropan-2-yl)-11,20-dihydroxy-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.0³,¹².0⁴,⁹.0¹⁸,²³]tricosa-3(12),4(9),5,10,18,20,22-heptaen-13-one
methyl 2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate
(1e,2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
(1s,3r,4r,4as,5r,7s,7as)-4,4a,5-trihydroxy-3-methoxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydrocyclopenta[c]pyran-7-yl acetate
(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"}