Exact Mass: 454.1825
Exact Mass Matches: 454.1825
Found 500 metabolites which its exact mass value is equals to given mass value 454.1825
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Obacunone
Constituent of Citrus subspecies, Fortunella margarita (oval kumquat) and Casimiroa edulis (Mexican apple). Obacunone is found in many foods, some of which are pomes, sweet orange, lemon, and fruits. Obacunone is found in fruits. Obacunone is a constituent of Citrus species, Fortunella margarita (oval kumquat) and Casimiroa edulis (Mexican apple) Obacunone is a limonoid. Obacunone is a natural product found in Limonia acidissima, Citrus latipes, and other organisms with data available. Obacunone, isolated from Citrus fruits, exhibits anti-tumor activity by the induction of apoptosis[1]. Obacunone, isolated from Citrus fruits, exhibits anti-tumor activity by the induction of apoptosis[1].
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
Desoxylimonin
Desoxylimonin is a steroid lactone. Desoxylimonin is a natural product found in Citrus maxima with data available. Desoxylimonin is found in citrus. Desoxylimonin is isolated from grapefruit seed Desoxylimonin is an orally active triterpenoid compound found from grapefruit seed. Desoxylimonin shows anti-proliferative activities to breast cancer cells. Desoxylimonin derivatives shows better anticancer, analgesic and anti-inflammatory activity than the lead compound[1].
1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits.
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is found in fruits.
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone
1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits. 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1-Hydroxy-3,6,7-trimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits.
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
Kushenol N
(2R,3S)-2-(2,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one is a natural product found in Sophora flavescens, Gentiana macrophylla, and Gentiana straminea with data available.
2,7-Dihydroxy-1,6-bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Leachianone D
1-Hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-2-(3-methylbut-2-enyl) xanthone
(-)-(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
8-O-acetyl-4beta-hydroxy-3alpha-methoxy-dihydroharpagide|ajureptaside A
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
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
Ala Ala Met Tyr
Ala Ala Tyr Met
Ala Cys Val Tyr
Ala Cys Tyr Val
Ala Asp Ser Tyr
Ala Asp Tyr Ser
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
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 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
Asp Ala Tyr Ser
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 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 Met Ser
Phe Ala Ser Met
Phe Cys Ser Val
Phe Cys Val Ser
Phe Asp Ser Ser
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 Ile Tyr
Gly Cys Leu Tyr
Gly Cys Tyr Ile
Gly Cys Tyr Leu
Gly Asp Thr Tyr
Gly Asp Tyr Thr
Gly Glu Ser Tyr
Gly Glu Tyr Ser
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
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 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
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 Cys Val
Ser Phe Asp Ser
Ser Phe Met Ala
Ser Phe Ser Asp
Ser Phe Val Cys
Ser Gly Glu Tyr
Ser Gly Tyr Glu
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
Ser Ser Phe Asp
Ser Val Cys Phe
Ser Val Phe Cys
Ser Tyr Ala Asp
Ser Tyr Asp Ala
Ser Tyr Glu Gly
Ser Tyr Gly Glu
Thr Asp Gly Tyr
Thr Asp Tyr Gly
Thr Phe Gly Met
Thr Phe Met Gly
Thr Gly Asp Tyr
Thr Gly Phe Met
Thr Gly Met Phe
Thr Gly Tyr Asp
Thr Met Phe Gly
Thr Met Gly Phe
Thr Tyr Asp Gly
Thr Tyr Gly Asp
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
Tyr Ala Met Ala
Tyr Ala Ser Asp
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
Tyr Asp Gly Thr
Tyr Asp Ser Ala
Tyr Asp Thr Gly
Tyr Glu Gly Ser
Tyr Glu Ser Gly
Tyr Gly Cys Ile
Tyr Gly Cys Leu
Tyr Gly Asp Thr
Tyr Gly Glu Ser
Tyr Gly Ile Cys
Tyr Gly Leu Cys
Tyr Gly Ser Glu
Tyr Gly Thr Asp
Tyr Ile Cys Gly
Tyr Ile Gly Cys
Tyr Leu Cys Gly
Tyr Leu Gly Cys
Tyr Met Ala Ala
Tyr Ser Ala Asp
Tyr Ser Asp Ala
Tyr Ser Glu Gly
Tyr Ser Gly Glu
Tyr Thr Asp Gly
Tyr Thr Gly Asp
Tyr Val Ala Cys
Tyr Val Cys Ala
5,6-dimethyl-2-[4-[3-(1-piperidinomethyl)phenoxy]-(z)-2-butenylamino]-4(1h)-pyrimidone dihydrochloride
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
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
butyl prop-2-enoate,2-methylidenebutanedioic acid,prop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
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
[(3R)-4-[[3-(2-heptanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]phosphinic acid
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
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
(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
3-(2-Furanylmethyl)-2-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one
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
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-(3-methoxyphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-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
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
(1r,2s,7r,10r,13r,18r,19r)-18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁹]henicos-14-ene-5,12,16-trione
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"}