Exact Mass: 454.1681
Exact Mass Matches: 454.1681
Found 500 metabolites which its exact mass value is equals to given mass value 454.1681
,
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
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).
alpha-CEHC glucuronide
alpha-CEHC glucuronide is the glucuronide conjugate of alpha-CEHC, a vitamin E metabolite with a truncated phytyl tail (PMID: 9804189). About one-third of the alpha-CEHC circulating in the blood is present as alpha-CEHC glucuronide. alpha-CEHC glucuronide is excreted in the urine (PMID: 10552913).
2,5-Dioxopyrrolidin-1-yl 6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoate
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)
5-(3-Methoxyphenyl)-3-(1-phenylethylamino)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
2,7-Dihydroxy-1,3-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
2,7-Dihydroxy-1,6-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
7,8,3,4,5-Pentamethoxy-6,6-dimethylpyrano[2,3:5,6]flavone
(-)-(7S,8R)-4,7,9,8,9-pentahydroxy-3,5,3,5-tetramethoxy-8-O-4-neolignan|3-(4-{[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)propane-1,2-diol|casearialignan A
6,7-bis(2,2-dimethoxyethenyl)-2,11-dimethoxy-2Z,4E,8E,10Z-dodecatetraendioic acid
(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-hydroxy-3,5-dimethoxyphenyl)-2,3-bis(hydroxymethyl)-1,4-butanediol|1,4-Bis-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3-bis-hydroxymethyl-butan-1,4-diol|1,4-bis-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3-bis-hydroxymethyl-butane-1,4-diol|smiglabranol
2-{{6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxoprop-2-en-1-yl]-beta-d-glucopyranosyl}oxy}-4-methylhexanoic acid|ligularoside III
(E)-2,3-dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxystilbene|(E)-2,3-dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxystilbene
3-O-(4-hydroxybenzoyl)-10-deoxyeucommiol 6-O-beta-D-glucopyranoside
1alpha,9beta-difuranoyloxy-2-oxo-3-enedihydro-beta-agarofuran
Biotin-X-NHS
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
methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate
Ala Ala Met Tyr
Ala Ala Tyr Met
Ala Cys Asp Phe
Ala Cys Phe Asp
Ala Cys Val Tyr
Ala Cys Tyr Val
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 Phe Met Ser
Ala Phe Ser Met
Ala Met Ala Tyr
Ala Met Phe Ser
Ala Met Ser Phe
Ala Met Tyr Ala
Ala Ser Asp Tyr
Ala Ser Phe Met
Ala Ser Met Phe
Ala Ser Tyr Asp
Ala Val Cys Tyr
Ala Val Tyr Cys
Ala Tyr Ala Met
Ala Tyr Cys Val
Ala Tyr Asp Ser
Ala Tyr Met Ala
Ala Tyr Ser Asp
Ala Tyr Val Cys
Cys Ala Asp Phe
Cys Ala Phe Asp
Cys Ala Val Tyr
Cys Ala Tyr Val
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 Phe Ser Val
Cys Phe Val Ser
Cys Gly Glu Phe
Cys Gly Phe Glu
Cys Gly Ile Tyr
Cys Gly Leu Tyr
Cys Gly Tyr Ile
Cys Gly Tyr Leu
Cys Ile Gly Tyr
Cys Ile Tyr Gly
Cys Leu Gly Tyr
Cys Met Thr Thr
Cys Ser Val Phe
Cys Thr Met Thr
Cys Thr Thr Met
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 His Pro Ser
Asp His Ser Pro
Asp Pro His Ser
Asp Pro Ser His
Asp Ser Ala Tyr
Asp Ser Phe Ser
Asp Ser His Pro
Asp Ser Pro His
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 Gly Met Thr
Phe Gly Thr Met
Phe Met Ala Ser
Phe Met Gly Thr
Phe Met Ser Ala
Phe Met Thr Gly
Phe Ser Ala Met
Phe Ser Cys Val
Phe Ser Asp Ser
Phe Ser Met Ala
Phe Ser Ser Asp
Phe Ser Val Cys
Phe Thr Gly Met
Phe Thr Met Gly
Phe Val Cys Ser
Phe Val Ser Cys
Gly Cys Glu Phe
Gly Cys Phe Glu
Gly Cys Ile Tyr
Gly Cys Leu Tyr
Gly Cys Tyr Ile
Gly Cys Tyr Leu
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 Phe Met Thr
Gly Phe Thr Met
Gly Ile Cys Tyr
Gly Ile Tyr Cys
Gly Leu Cys Tyr
Gly Leu Tyr Cys
Gly Met Phe Thr
Gly Met Thr Phe
Gly Ser Glu Tyr
Gly Ser Tyr Glu
Gly Thr Asp Tyr
Gly Thr Phe Met
Gly Thr Met Phe
Gly Thr Tyr Asp
Gly Tyr Cys Ile
Gly Tyr Cys Leu
Gly Tyr Asp Thr
Gly Tyr Glu Ser
Gly Tyr Ile Cys
Gly Tyr Leu Cys
Gly Tyr Ser Glu
Gly Tyr Thr Asp
His Asp Pro Ser
His Asp Ser Pro
His Pro Asp Ser
His Pro Ser Asp
His Ser Asp Pro
His Ser Pro Asp
Ile Cys Gly Tyr
Ile Cys Tyr Gly
Ile Gly Cys Tyr
Ile Gly Tyr Cys
Ile Tyr Cys Gly
Ile Tyr Gly Cys
Leu Cys Gly Tyr
Leu Cys Tyr Gly
Leu Gly Cys Tyr
Leu Gly Tyr Cys
Leu Tyr Cys Gly
Leu Tyr Gly Cys
Met Ala Ala Tyr
Met Ala Phe Ser
Met Ala Ser Phe
Met Ala Tyr Ala
Met Cys Thr Thr
Met Phe Ala Ser
Met Phe Gly Thr
Met Phe Ser Ala
Met Phe Thr Gly
Met Gly Phe Thr
Met Gly Thr Phe
Met Met Ser Ser
Met Ser Ala Phe
Met Ser Phe Ala
Met Ser Met Ser
Met Ser Ser Met
Met Thr Cys Thr
Met Thr Phe Gly
Met Thr Gly Phe
Met Thr Thr Cys
Met Tyr Ala Ala
Pro Asp His Ser
Pro Asp Ser His
Pro His Asp Ser
Pro His Ser Asp
Pro Ser Asp His
Pro Ser His Asp
Ser Ala Asp Tyr
Ser Ala Phe Met
Ser Ala Met Phe
Ser Ala Tyr Asp
Ser Cys Phe Val
Ser Cys Val Phe
Ser Asp Ala Tyr
Ser Asp Phe Ser
Ser Asp His Pro
Ser Asp Pro His
Ser Asp Ser Phe
Ser Asp Tyr Ala
Ser Glu Gly Tyr
Ser Glu Tyr Gly
Ser Phe Ala Met
Ser Phe Asp Ser
Ser Phe Ser Asp
Ser Gly Glu Tyr
Ser Gly Tyr Glu
Ser His Asp Pro
Ser His Pro Asp
Ser Met Met Ser
Ser Met Ser Met
Ser Pro Asp His
Ser Pro His Asp
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
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
Sucrose acetate isobutyrate
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
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
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)STRONTIUM(II)
(S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide
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
Benzoic acid,3,4,5-tris(phenylmethoxy)-, methyl ester
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)-
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
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
5,6-diamino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4,5-dihydropyrimidin-2-one
[(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
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
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
2-deoxycytidine dimer
A nucleoside analogue obtained by formal cyclodimerisation of 2-deoxycytidine.
5,6-diamino-1,3-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-4,5-dihydro[4,4-bipyrimidine]-2,2(1H,3H)-dione
An N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium.
1,3-bis(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
An N-glycosyl compound that is a metabolite produced by the bacterium Mycoplasma genitalium.
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.
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].
13-hydroxy-4-methyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
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
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
(1s,2r)-2-{4-[(2s)-2,3-dihydroxypropyl]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
9-{3-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]but-1-en-1-yl}phenazine-1-carboxylic acid
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
19-methoxy-2-oxapentacyclo[22.2.2.1³,⁷.0¹⁰,¹⁵.0¹⁶,²¹]nonacosa-1(26),3(29),4,6,10,12,14,16(21),17,19,24,27-dodecaene-4,12,18-triol
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
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
(1r,2s,3s,5s,8r,11r,12r)-5-[(2r,3r,4r,5r)-3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl]-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.0²,¹¹.0³,⁸]hexadec-15-ene-7,13-dione
methyl 2-[(3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate
19-methoxy-2-oxapentacyclo[22.2.2.1³,⁷.0¹⁰,¹⁵.0¹⁶,²¹]nonacosa-1(26),3(29),4,6,10,12,14,16,18,20,24,27-dodecaene-4,5,12-triol
(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
1,3-di(4-hydroxybenz yl)-4-methoxy-9,10-di-hydrophenanthrene-2,7-diol
{"Ingredient_id": "HBIN001167","Ingredient_name": "1,3-di(4-hydroxybenz yl)-4-methoxy-9,10-di-hydrophenanthrene-2,7-diol","Alias": "NA","Ingredient_formula": "C29H26O5","Ingredient_Smile": "COC1=C(C(=C(C2=C1C3=C(CC2)C=C(C=C3)O)CC4=CC=C(C=C4)O)O)CC5=CC=C(C=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}