Exact Mass: 454.1539
Exact Mass Matches: 454.1539
Found 500 metabolites which its exact mass value is equals to given mass value 454.1539
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Methotrexate
Methotrexate is only found in individuals that have used or taken this drug. It is an antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of tetrahydrofolate dehydrogenase and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA. [PubChem]Methotrexate anti-tumor activity is a result of the inhibition of folic acid reductase, leading to inhibition of DNA synthesis and inhibition of cellular replication. The mechanism involved in its activity against rheumatoid arthritis is not known. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; INTERNAL_ID 2730 D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Corona-virus KEIO_ID M048 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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
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
Amethopterin
2-[(3S)-3-[[(2S)-1-(Carboxymethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
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
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
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
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
1alpha,9beta-difuranoyloxy-2-oxo-3-enedihydro-beta-agarofuran
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.
Methotrexate
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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
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
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 Met Val
Cys Cys Val Met
Cys Asp Ala Phe
Cys Asp Phe Ala
Cys Glu Phe Gly
Cys Glu Gly Phe
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 Met Ala
Cys Met Thr Thr
Cys Met Val 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 Phe Ala Cys
Asp Phe Cys Ala
Asp Phe Ser Ser
Asp Gly Thr Tyr
Asp Gly Tyr Thr
Asp Ser Ala Tyr
Asp Ser Phe Ser
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 Phe Gly
Glu Cys Gly Phe
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 Tyr Gly Ser
Glu Tyr Ser Gly
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 Asp Ser Ser
Phe Glu Cys Gly
Phe Glu Gly Cys
Phe Gly Cys Glu
Phe Gly Glu Cys
Phe Ser Asp Ser
Phe Ser Ser Asp
Gly Cys Glu Phe
Gly Cys Phe Glu
Gly Asp Thr Tyr
Gly Asp Tyr Thr
Gly Glu Cys Phe
Gly Glu Phe Cys
Gly Glu Ser Tyr
Gly Glu Tyr Ser
Gly Phe Cys Glu
Gly Phe Glu Cys
Gly Ser Glu Tyr
Gly Ser Tyr Glu
Gly Thr Asp Tyr
Gly Thr Tyr Asp
Gly Tyr Asp Thr
Gly Tyr Glu Ser
Gly Tyr Ser Glu
Gly Tyr Thr Asp
Met Ala Cys Met
Met Ala Met Cys
Met Cys Ala Met
Met Cys Cys Val
Met Cys Met Ala
Met Cys Thr Thr
Met Cys Val Cys
Met Met Ala Cys
Met Met Cys Ala
Met Met Ser Ser
Met Ser Met Ser
Met Ser Ser Met
Met Thr Cys Thr
Met Thr Thr Cys
Met Val Cys Cys
Ser Ala Asp Tyr
Ser Ala Tyr Asp
Ser Asp Ala Tyr
Ser Asp Phe Ser
Ser Asp Ser Phe
Ser Asp Tyr Ala
Ser Glu Gly Tyr
Ser Glu Tyr Gly
Ser Phe Asp Ser
Ser Phe Ser Asp
Ser Gly Glu Tyr
Ser Gly Tyr Glu
Ser Met Met Ser
Ser Met Ser Met
Ser Ser Asp Phe
Ser Ser Phe Asp
Ser Ser Met Met
Ser Tyr Ala Asp
Ser Tyr Asp Ala
Ser Tyr Glu Gly
Ser Tyr Gly Glu
Thr Cys Met Thr
Thr Cys Thr Met
Thr Asp Gly Tyr
Thr Asp Tyr Gly
Thr Gly Asp Tyr
Thr Gly Tyr Asp
Thr Met Cys Thr
Thr Met Thr Cys
Thr Thr Cys Met
Thr Thr Met Cys
Thr Tyr Asp Gly
Thr Tyr Gly Asp
Val Cys Cys Met
Val Cys Met Cys
Val Met Cys Cys
Tyr Ala Asp Ser
Tyr Ala Ser Asp
Tyr Asp Ala Ser
Tyr Asp Gly Thr
Tyr Asp Ser Ala
Tyr Asp Thr Gly
Tyr Glu Gly Ser
Tyr Glu Ser Gly
Tyr Gly Asp Thr
Tyr Gly Glu Ser
Tyr Gly Ser Glu
Tyr Gly Thr Asp
Tyr Ser Ala Asp
Tyr Ser Asp Ala
Tyr Ser Glu Gly
Tyr Ser Gly Glu
Tyr Thr Asp Gly
Tyr Thr Gly Asp
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
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
Amethopterin
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
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
ONO-4059
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163774 - BTK-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
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.
4-((E)-(4-((E)-(2,4-Dihydroxyquinolin-3-yl)diazenyl)-2-methylphenyl)diazenyl)-N,N-dimethylbenzamide
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
(2s)-2-[3-(Aminomethyl)phenyl]-3-[(R)-Hydroxy{(1r)-2-Methyl-1-[(Phenylsulfonyl)amino]propyl}phosphoryl]propanoic Acid
(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
2-[(3S)-3-[[(2S)-1-(Carboxymethoxy)-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
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
(+)-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
3-(2-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]urea
4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide
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
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
[(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
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
[(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
trimethyl (1S,16R)-13-oxo-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate
(2R,5S)-1,4-Dimethyl-2-hydroxy-2-(3,4-dihydroxybenzyl)-5-[(4-nitro-1H-indol-3-yl)methyl]piperazine-3,6-dione
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.
(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.
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
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
2,9,18-trimethyl (1r,9r,16r,18r)-13-oxo-2,12-diazapentacyclo[14.2.2.0¹,⁹.0³,⁸.0¹²,¹⁶]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate
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
9-{3-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]but-1-en-1-yl}phenazine-1-carboxylic acid
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
2,9,18-trimethyl (1r,9r,16r,18s)-13-oxo-2,12-diazapentacyclo[14.2.2.0¹,⁹.0³,⁸.0¹²,¹⁶]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate
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
5-{5-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol
1,6-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydro-2,7-phenanthrenediol
{"Ingredient_id": "HBIN001840","Ingredient_name": "1,6-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydro-2,7-phenanthrenediol","Alias": "NA","Ingredient_formula": "C29H26O5","Ingredient_Smile": "NA","Ingredient_weight": "454.521","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9492","PubChem_id": "NA","DrugBank_id": "NA"}
1,6-bis(4-hydroxybenzyl)-9,10-dihydro-2,4,7-phenanthrenetriol; 4-me ether
{"Ingredient_id": "HBIN001842","Ingredient_name": "1,6-bis(4-hydroxybenzyl)-9,10-dihydro-2,4,7-phenanthrenetriol; 4-me ether","Alias": "NA","Ingredient_formula": "C29H26O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9491","PubChem_id": "NA","DrugBank_id": "NA"}
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"}