Exact Mass: 454.17801460000004
Exact Mass Matches: 454.17801460000004
Found 500 metabolites which its exact mass value is equals to given mass value 454.17801460000004
,
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
Halcinonide
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AD - Corticosteroids, very potent (group iv) C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
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
C26H25F3N2O2 (454.18680259999996)
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 Val Tyr
Ala Cys Tyr Val
Ala Asp Ser Tyr
C19H26N4O9 (454.16997060000006)
Ala Asp Tyr Ser
C19H26N4O9 (454.16997060000006)
Ala Phe Met Ser
Ala Phe Ser Met
Ala His Asn Asn
Ala Met Ala Tyr
Ala Met Phe Ser
Ala Met Ser Phe
Ala Met Tyr Ala
Ala Asn His Asn
Ala Asn Asn His
Ala Ser Asp Tyr
C19H26N4O9 (454.16997060000006)
Ala Ser Phe Met
Ala Ser Met Phe
Ala Ser Tyr Asp
C19H26N4O9 (454.16997060000006)
Ala Val Cys Tyr
Ala Val Tyr Cys
Ala Tyr Ala Met
Ala Tyr Cys Val
Ala Tyr Asp Ser
C19H26N4O9 (454.16997060000006)
Ala Tyr Met Ala
Ala Tyr Ser Asp
C19H26N4O9 (454.16997060000006)
Ala Tyr Val Cys
Cys Ala Val Tyr
Cys Ala Tyr Val
Cys Phe Ser Val
Cys Phe Val Ser
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 Leu Tyr Gly
Cys Ser Phe Val
Cys Ser Val Phe
Cys Val Ala Tyr
Cys Val Phe Ser
Cys Val Ser Phe
Cys Val Tyr Ala
Cys Tyr Ala Val
Cys Tyr Gly Ile
Cys Tyr Gly Leu
Cys Tyr Ile Gly
Cys Tyr Leu Gly
Cys Tyr Val Ala
Asp Ala Ser Tyr
C19H26N4O9 (454.16997060000006)
Asp Ala Tyr Ser
C19H26N4O9 (454.16997060000006)
Asp Phe Ser Ser
C19H26N4O9 (454.16997060000006)
Asp Gly Thr Tyr
C19H26N4O9 (454.16997060000006)
Asp Gly Tyr Thr
C19H26N4O9 (454.16997060000006)
Asp His Pro Ser
Asp His Ser Pro
Asp Pro His Ser
Asp Pro Ser His
Asp Ser Ala Tyr
C19H26N4O9 (454.16997060000006)
Asp Ser Phe Ser
C19H26N4O9 (454.16997060000006)
Asp Ser His Pro
Asp Ser Pro His
Asp Ser Ser Phe
C19H26N4O9 (454.16997060000006)
Asp Ser Tyr Ala
C19H26N4O9 (454.16997060000006)
Asp Thr Gly Tyr
C19H26N4O9 (454.16997060000006)
Asp Thr Tyr Gly
C19H26N4O9 (454.16997060000006)
Asp Tyr Ala Ser
C19H26N4O9 (454.16997060000006)
Asp Tyr Gly Thr
C19H26N4O9 (454.16997060000006)
Asp Tyr Ser Ala
C19H26N4O9 (454.16997060000006)
Asp Tyr Thr Gly
C19H26N4O9 (454.16997060000006)
Glu Gly Ser Tyr
C19H26N4O9 (454.16997060000006)
Glu Gly Tyr Ser
C19H26N4O9 (454.16997060000006)
Glu Ser Gly Tyr
C19H26N4O9 (454.16997060000006)
Glu Ser Tyr Gly
C19H26N4O9 (454.16997060000006)
Glu Tyr Gly Ser
C19H26N4O9 (454.16997060000006)
Glu Tyr Ser Gly
C19H26N4O9 (454.16997060000006)
Phe Ala Met Ser
Phe Ala Ser Met
Phe Cys Ser Val
Phe Cys Val Ser
Phe Asp Ser Ser
C19H26N4O9 (454.16997060000006)
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
C19H26N4O9 (454.16997060000006)
Phe Ser Met Ala
Phe Ser Ser Asp
C19H26N4O9 (454.16997060000006)
Phe Ser Val Cys
Phe Thr Gly Met
Phe Thr Met Gly
Phe Val Cys Ser
Phe Val Ser Cys
Gly Cys Ile Tyr
Gly Cys Leu Tyr
Gly Cys Tyr Ile
Gly Cys Tyr Leu
Gly Asp Thr Tyr
C19H26N4O9 (454.16997060000006)
Gly Asp Tyr Thr
C19H26N4O9 (454.16997060000006)
Gly Glu Ser Tyr
C19H26N4O9 (454.16997060000006)
Gly Glu Tyr Ser
C19H26N4O9 (454.16997060000006)
Gly Phe Met Thr
Gly Phe Thr Met
Gly His Asn Gln
Gly His Gln Asn
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 Asn His Gln
Gly Asn Gln His
Gly Gln His Asn
Gly Gln Asn His
Gly Ser Glu Tyr
C19H26N4O9 (454.16997060000006)
Gly Ser Tyr Glu
C19H26N4O9 (454.16997060000006)
Gly Thr Asp Tyr
C19H26N4O9 (454.16997060000006)
Gly Thr Phe Met
Gly Thr Met Phe
Gly Thr Tyr Asp
C19H26N4O9 (454.16997060000006)
Gly Tyr Cys Ile
Gly Tyr Cys Leu
Gly Tyr Asp Thr
C19H26N4O9 (454.16997060000006)
Gly Tyr Glu Ser
C19H26N4O9 (454.16997060000006)
Gly Tyr Ile Cys
Gly Tyr Leu Cys
Gly Tyr Ser Glu
C19H26N4O9 (454.16997060000006)
Gly Tyr Thr Asp
C19H26N4O9 (454.16997060000006)
His Ala Asn Asn
His Asp Pro Ser
His Asp Ser Pro
His Gly Asn Gln
His Gly Gln Asn
His Asn Ala Asn
His Asn Gly Gln
His Asn Asn Ala
His Asn Gln Gly
His Pro Asp Ser
His Pro Ser Asp
His Gln Gly Asn
His Gln Asn Gly
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 Phe Ala Ser
Met Phe Gly Thr
Met Phe Ser Ala
Met Phe Thr Gly
Met Gly Phe Thr
Met Gly Thr Phe
Met Ser Ala Phe
Met Ser Phe Ala
Met Thr Phe Gly
Met Thr Gly Phe
Met Tyr Ala Ala
Asn Ala His Asn
Asn Ala Asn His
Asn Gly His Gln
Asn Gly Gln His
Asn His Ala Asn
Asn His Gly Gln
Asn His Asn Ala
Asn His Gln Gly
Asn Asn Ala His
Asn Asn His Ala
Asn Gln Gly His
Asn Gln His Gly
Pro Asp His Ser
Pro Asp Ser His
Pro His Asp Ser
Pro His Ser Asp
Pro Ser Asp His
Pro Ser His Asp
Gln Gly His Asn
Gln Gly Asn His
Gln His Gly Asn
Gln His Asn Gly
Gln Asn Gly His
Gln Asn His Gly
Ser Ala Asp Tyr
C19H26N4O9 (454.16997060000006)
Ser Ala Phe Met
Ser Ala Met Phe
Ser Ala Tyr Asp
C19H26N4O9 (454.16997060000006)
Ser Cys Phe Val
Ser Cys Val Phe
Ser Asp Ala Tyr
C19H26N4O9 (454.16997060000006)
Ser Asp Phe Ser
C19H26N4O9 (454.16997060000006)
Ser Asp His Pro
Ser Asp Pro His
Ser Asp Ser Phe
C19H26N4O9 (454.16997060000006)
Ser Asp Tyr Ala
C19H26N4O9 (454.16997060000006)
Ser Glu Gly Tyr
C19H26N4O9 (454.16997060000006)
Ser Glu Tyr Gly
C19H26N4O9 (454.16997060000006)
Ser Phe Ala Met
Ser Phe Cys Val
Ser Phe Asp Ser
C19H26N4O9 (454.16997060000006)
Ser Phe Met Ala
Ser Phe Ser Asp
C19H26N4O9 (454.16997060000006)
Ser Phe Val Cys
Ser Gly Glu Tyr
C19H26N4O9 (454.16997060000006)
Ser Gly Tyr Glu
C19H26N4O9 (454.16997060000006)
Ser His Asp Pro
Ser His Pro Asp
Ser Met Ala Phe
Ser Met Phe Ala
Ser Pro Asp His
Ser Pro His Asp
Ser Ser Asp Phe
C19H26N4O9 (454.16997060000006)
Ser Ser Phe Asp
C19H26N4O9 (454.16997060000006)
Ser Val Cys Phe
Ser Val Phe Cys
Ser Tyr Ala Asp
C19H26N4O9 (454.16997060000006)
Ser Tyr Asp Ala
C19H26N4O9 (454.16997060000006)
Ser Tyr Glu Gly
C19H26N4O9 (454.16997060000006)
Ser Tyr Gly Glu
C19H26N4O9 (454.16997060000006)
Thr Asp Gly Tyr
C19H26N4O9 (454.16997060000006)
Thr Asp Tyr Gly
C19H26N4O9 (454.16997060000006)
Thr Phe Gly Met
Thr Phe Met Gly
Thr Gly Asp Tyr
C19H26N4O9 (454.16997060000006)
Thr Gly Phe Met
Thr Gly Met Phe
Thr Gly Tyr Asp
C19H26N4O9 (454.16997060000006)
Thr Met Phe Gly
Thr Met Gly Phe
Thr Tyr Asp Gly
C19H26N4O9 (454.16997060000006)
Thr Tyr Gly Asp
C19H26N4O9 (454.16997060000006)
Val Ala Cys Tyr
Val Ala Tyr Cys
Val Cys Ala Tyr
Val Cys Phe Ser
Val Cys Ser Phe
Val Cys Tyr Ala
Val Phe Cys Ser
Val Phe Ser Cys
Val Ser Cys Phe
Val Ser Phe Cys
Val Tyr Ala Cys
Val Tyr Cys Ala
Tyr Ala Ala Met
Tyr Ala Cys Val
Tyr Ala Asp Ser
C19H26N4O9 (454.16997060000006)
Tyr Ala Met Ala
Tyr Ala Ser Asp
C19H26N4O9 (454.16997060000006)
Tyr Ala Val Cys
Tyr Cys Ala Val
Tyr Cys Gly Ile
Tyr Cys Gly Leu
Tyr Cys Ile Gly
Tyr Cys Leu Gly
Tyr Cys Val Ala
Tyr Asp Ala Ser
C19H26N4O9 (454.16997060000006)
Tyr Asp Gly Thr
C19H26N4O9 (454.16997060000006)
Tyr Asp Ser Ala
C19H26N4O9 (454.16997060000006)
Tyr Asp Thr Gly
C19H26N4O9 (454.16997060000006)
Tyr Glu Gly Ser
C19H26N4O9 (454.16997060000006)
Tyr Glu Ser Gly
C19H26N4O9 (454.16997060000006)
Tyr Gly Cys Ile
Tyr Gly Cys Leu
Tyr Gly Asp Thr
C19H26N4O9 (454.16997060000006)
Tyr Gly Glu Ser
C19H26N4O9 (454.16997060000006)
Tyr Gly Ile Cys
Tyr Gly Leu Cys
Tyr Gly Ser Glu
C19H26N4O9 (454.16997060000006)
Tyr Gly Thr Asp
C19H26N4O9 (454.16997060000006)
Tyr Ile Cys Gly
Tyr Ile Gly Cys
Tyr Leu Cys Gly
Tyr Leu Gly Cys
Tyr Met Ala Ala
Tyr Ser Ala Asp
C19H26N4O9 (454.16997060000006)
Tyr Ser Asp Ala
C19H26N4O9 (454.16997060000006)
Tyr Ser Glu Gly
C19H26N4O9 (454.16997060000006)
Tyr Ser Gly Glu
C19H26N4O9 (454.16997060000006)
Tyr Thr Asp Gly
C19H26N4O9 (454.16997060000006)
Tyr Thr Gly Asp
C19H26N4O9 (454.16997060000006)
Tyr Val Ala Cys
Tyr Val Cys Ala
5,2,4,5-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6,6-dimethylpyrano[2,3:7,8]flavone
5,6-dimethyl-2-[4-[3-(1-piperidinomethyl)phenoxy]-(z)-2-butenylamino]-4(1h)-pyrimidone dihydrochloride
C22H32Cl2N4O2 (454.19021919999994)
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
4,4-Bis(diethoxyphosphono-methyl)-Biphenyl
C22H32O6P2 (454.16740319999997)
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)STRONTIUM(II)
(S)-4-(2-hydroxy-3-phenoxypropylaminoethoxy)-N-(2-methoxyethyl)phenoxyacetamide
ONO-4059
C25H22N6O3 (454.17533019999996)
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
C25H22N6O3 (454.17533019999996)
[(3R)-4-[[3-(2-heptanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]phosphinic acid
C18H35N2O7PS (454.19024900000005)
3,4-Dihydroxybenzoate-spermidine-citrate
C20H28N3O9- (454.18254580000007)
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.
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
C23H26N4O4S (454.16746760000007)
N-[(4-chlorophenyl)methyl]-5,12-dioxo-2R-phenyl-1-oxa-4-azacyclododec-8E-ene-6S-acetamide
C25H27ClN2O4 (454.16592520000006)
(2R,11R,12R,13R)-6-methoxy-13,19-dimethyl-12-phenyl-9-oxa-1,15-diazapentacyclo[11.9.0.02,11.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaene-14,22-dione
C28H26N2O4 (454.18924760000004)
3-(2-Furanylmethyl)-2-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one
C28H26N2O4 (454.18924760000004)
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
C23H26N4O4S (454.16746760000007)
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-(3-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C25H30N2O4S (454.19261800000004)
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
C23H26N4O4S (454.16746760000007)
(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
C23H26N4O4S (454.16746760000007)
(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
1,5-Bis(ethoxymethylphenylsilyl)naphthalene
C28H30O2Si2 (454.17842399999995)
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.
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
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
(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
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"}
3-[(1e)-2-(2-hydroxyphenyl)ethenyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
3-[2-(2-hydroxyphenyl)ethenyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
methyl (1r,2s,3r,11s,12s,14s)-12-hydroxy-7,8-dimethoxy-13,15-dioxo-10,16-diazaheptacyclo[9.8.2.1¹,¹².0²,¹⁶.0³,¹¹.0³,¹⁴.0⁴,⁹]docosa-4(9),5,7-triene-10-carboxylate
4,5-dimethyl 23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6(14),7(11),12-triene-4,5-dicarboxylate
7-(2-hydroxy-3-methyl-3-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}butoxy)-6-methoxychromen-2-one
9-(3-methyl-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}but-1-en-1-yl)phenazine-1-carboxylic acid
2-[(1r,5r)-2-(hydroxymethyl)-3-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate
4,5-dimethyl (1r,4r,15s,16r,24r)-23-oxo-8,10-dioxa-5,18-diazaheptacyclo[14.5.2.1¹,¹⁵.0⁴,¹⁵.0⁶,¹⁴.0⁷,¹¹.0¹⁸,²⁴]tetracosa-6(14),7(11),12-triene-4,5-dicarboxylate
4,5-dimethyl (1s,4s,12r,13r,21s)-7-methoxy-16,20-dioxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10-triene-4,5-dicarboxylate
(1s,2r,15r,17r)-3,3,17-trimethyl-4,18-dioxa-6,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5,7,9,11,13,19(28),20,22,24,26-decaene-13,27-diol
C28H26N2O4 (454.18924760000004)
(4s)-13-hydroxy-4-methyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
(1r,2r,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-en-8-yl acetate
2,9,18-trimethyl 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)-4-hydroxy-6-[(2s)-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
3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-4,11-dioxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-en-8-yl acetate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-({2-methoxy-4-phenyl-[1,1'-biphenyl]-6-yl}oxy)oxane-3,4,5-triol
(2r)-2-[(4-{[(4-amino-2-imino-3h-pteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
methyl (2r)-2-{[(3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]methyl}-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate
(2s)-4-hydroxy-6-[(2s)-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
(1s,2s)-2-{4-[(2s)-2,3-dihydroxypropyl]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
17-methoxy-2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3(30),4,6,10(29),11,13,16(21),17,19,24,27-dodecaene-4,20-diol
(2r,2ar,3r,4s,4ar,7as,7br)-2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-octahydrocyclobuta[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
(1r,2r,4s,7s,9r,10r,14r)-7-(furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-en-2-yl (2e)-2-methylbut-2-enoate
4,5-dimethyl 7-methoxy-16,20-dioxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10-triene-4,5-dicarboxylate
5-(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
1-(acetyloxy)-3,5-bis[4-(acetyloxy)phenyl]pent-4-en-2-yl acetate
1,6-bis[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
methyl 4-hydroxy-2-{[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
7-(furan-3-yl)-9-methyl-5,11,15-trioxo-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-en-2-yl 2-methylbut-2-enoate
(1r,2r,15r,17s)-3,3,17-trimethyl-4,18-dioxa-6,26-diazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁸.0²⁰,²⁵]nonacosa-5,7,9,11,13,19(28),20,22,24,26-decaene-13,27-diol
C28H26N2O4 (454.18924760000004)