Exact Mass: 398.1664046000001
Exact Mass Matches: 398.1664046000001
Found 500 metabolites which its exact mass value is equals to given mass value 398.1664046000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
AdoMet
[Spectral] S-Adenosyl-L-methionine (exact mass = 398.13724) and L-Histidine (exact mass = 155.06948) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives Acquisition and generation of the data is financially supported in part by CREST/JST. C26170 - Protective Agent > C275 - Antioxidant COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Braxin C
BENZOYLARGININE NITROANILIDE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
Anthricin
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3]. Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3].
L-365260
L-365260 is an orally active and selective antagonist of non-peptide gastrin and brain cholecystokinin receptor (CCK-B), with Kis of 1.9 nM and 2.0 nM, respectively. L-365260 interacts in a stereoselective and competitive manner with guinea pig stomach gastrin and brain CCK receptors. L-365260 can enhance Morphine analgesia and prevents Morphine tolerance[1][2][3].
Cinncassiol E
Cinncassiol E is found in herbs and spices. Cinncassiol E is a constituent of Cinnamomum cassia (Chinese cinnamon). Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol E is found in herbs and spices.
Dulxanthone E
Dulxanthone E is found in fruits. Dulxanthone E is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). Dulxanthone E is found in fruits.
5'-Methoxycurcumin
Constituent of Curcuma xanthorrhiza (Java turmeric). 5-Methoxycurcumin is found in herbs and spices, beverages, and root vegetables. 5-Methoxycurcumin is found in beverages. 5-Methoxycurcumin is a constituent of Curcuma xanthorrhiza (Java turmeric).
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is found in root vegetables. Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is found in root vegetables.
Kanzonol M
Kanzonol M is found in herbs and spices. Kanzonol M is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol M is found in herbs and spices.
N-Feruloylglycyl-L-phenylalanine
N-Feruloylglycyl-L-phenylalanine is found in pulses. N-Feruloylglycyl-L-phenylalanine is a constituent of Medicago sativa (alfalfa)
3'-Hydroxy-T2-triol
3-Hydroxy-T2-triol is a mycotoxin produced by Fusarium heterosporu
Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside
Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside is found in pomes. Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside is a constituent of apple leaves (Malus domestica). Constituent of apple leaves (Malus domestica). Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside is found in pomes.
Eletriptan N-oxide
C22H26N2O3S (398.1664046000001)
Eletriptan N-oxide is a metabolite of eletriptan. Eletriptan (also known as eletriptan hydrobromide) is a second generation triptan drug intended for treatment of migraine headaches. It is used as an abortive medication, blocking a migraine attack which is already in progress. Eletriptan is marketed and manufactured by Pfizer Inc. It is sold in the US and Canada under the brand name Relpax, and in several other countries under the brand name Relert. (Wikipedia)
(-)-Deoxypodophyllotoxin
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins
Ptaquiloside
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
N-[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea
6-[3-(1-Adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylic Acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents
BENZOYLARGININE NITROANILIDE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
Benzenesulfonamide, 2-(cyclohexylamino)-N-(((1,1-dimethylethyl)amino)carbonyl)-5-nitro-
C17H26N4O5S (398.16238260000006)
Camostat
COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AB - Proteinase inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Finafloxacin
Fursultiamine
Idalopirdine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
Moveltipril
C19H30N2O5S (398.18753300000003)
3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors
Methyl 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonate
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
1-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]propan-2-one
C15H26O12 (398.14241960000004)
Pennicitrinone C
A pyranoxanthene that is 3,5-dihydro-2H-pyrano[4,3,2-kl]xanthene substituted by methyl groups at positions 2R, 3S, 4, and 10, by an oxo group at position 5, by hydroxy groups at positions 8 and 10, and by a (2S,3S)-3-hydroxybutan-2-yl group at position 9. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
1S-Hydroxy-1,2-dihydrosphaerococcenol A
C20H31BrO3 (398.14564359999997)
Laccaridione B
An organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by an ethoxy group at position 1, hydroxy group at position 10, a methoxy group at position 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases.
3beta,4beta,5-Trimethoxy-4-hydroxy- (6:7)-2,2-dimethylpyranoflavan
(3alpha,4beta,7alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,7,8,15-pentol 4,15-diacetate
[4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4,6-diyl ester 2-methyl-2-propenoic acid
6-Prenylherbacetin 3,8-dimethyl ether
6-Prenylquercetin 3-methyl ether
Artoindonesianin Q
Artoindonesianin R
5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
4-amino-3-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-2-methyl-4-oxobutanoicacid
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-6-en-11-one
2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid
11,12-Methylenedioxykopsinaline
C22H26N2O5 (398.18416260000004)
Annotation level-1
5-Demethoxy-beta-peltatin-A-methylaether|5-demethoxy-beta-peltatin-A-methylether|5-desmethoxy-beta-peltatin A methyl ether
14,15-didehydro-10-hydroxy-11-methoxyvincamine
C22H26N2O5 (398.18416260000004)
11-methoxyneo-oxydiaboline|11-Methoxyneooxydiaboline
C22H26N2O5 (398.18416260000004)
((2R)-(3at,6at)-hexahydro-2r,4c-methano-furo[3,2-b]pyrrol-3c-yl)-methyl-carbamic acid (7aS)-1c-acetylamino-7xi-chloro-(7ar)-hexahydro-pyrrolizin-2t-yl ester|Lolidin
(1S*)-1-methoxybromotetrasphaerol|(1S*,2S*,3S*,4S*,5R*,8S*,9S*,12S*,13S*)-8-bromo-2-methoxy-5,9-dimethyl-13-(1-methylethyl)tetracyclo[10.2.1.0(3,12).0(4,9)]pentadecan-5-ol
(3R,5S,6S,8S,9S,10R,13R)-3-bromo-6-hydroxy-8,13-epoxylabd-14-en-1-one
C20H31BrO3 (398.14564359999997)
(1S,5S,6R,7S,9R,10S)-5-methylbutanoyloxy-1,4,9-trihydroxy-2-oxoxanth-11-en-6,12-olide
6-acetyl-3-(3,5-dimethyl-1E,3E-heptadien-7-ol)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one|rotiorinol C
3,4-Teracrylshikonin|Teracryl-shikonin|teracrylshikonin
14R-hydroxy-13,14-dihydro-sphaerococcenol A|14R-hydroxy-13,14-dihydro-sphaerococcenol-A
C20H31BrO3 (398.14564359999997)
10-methoxy-19alpha-methyl-2-oxo-(7alphaC2,20alpha)-formosanane-16-carboxylic acid methyl ester|O-methyl-rumberine|Palmirin|palmirine
C22H26N2O5 (398.18416260000004)
2alpha-isovaleryloxy-3,8-dioxo-4beta,5alpha-dihydroxy-11-peroxybisabola-7(14),9E-diene
(2R,4S)-2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-2,4-pentanediol
18-demethylgardneramine
C22H26N2O5 (398.18416260000004)
A natural product found in Gardneria ovata.
3-O-acetyl-4,5-O-di-(2-methylbutyryl)-shikimic acid methyl ester|3-O-acetyl-4,5-O-di-<2-methylbutyryl>-shikimic acid methyl ester
(2E,10R)-tetradecaene-4,6-diyne-1,10,14-triol-1-O-beta-D-glucopyranoside
3-ethyl-6-(4-O-methyl-beta-D-glucopyranosyloxy)-8-hydroxy-7-methyl-3,4-dihydroisocoumarin
(S)-2,3-dihydro-8-(3-hydroxy-3-methyl-1-butenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|glypuberol
1,3,7-trihydroxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methylbutyl)-xanthone
12-senecioyloxytetradeca-2E,8Z,10E-trien-4,6-diyne-1,14-diacetate|atractylodemayne C
(+)-(1S,3R,4R,5R,6S,7R,8S)-3-chloro-1,4-dihydroxy-8-isovaleryloxyguai-9,11(13)-dien-6,12-olide|argyinolide C
C20H27ClO6 (398.14960720000005)
(+)-(1S,3R,4R,5R,6S,7R,8S)-3-chloro-1,4-dihydroxy-8-(2-xi-methylbutyryloxy)guai-9,11(13)-dien-6,12-olide|argyinolide D
C20H27ClO6 (398.14960720000005)
17-hydroxy-yohimbane-5,16-dicarboxylic acid 16-methyl ester
C22H26N2O5 (398.18416260000004)
4-(3,4,8,9-Tetrahydro-8-isopropenyl-5-methoxy-6-methyl-2H-furo[2,3-h]-1-benzopyran-3-yl)-3-methoxy-1,2-benzenediol
desacyl-11,13-dihydrochlorojanerin 8-O-angelate
C20H27ClO6 (398.14960720000005)
10-hydroxy-11-methoxytabersonine alpha-epoxide|jerantinine B
C22H26N2O5 (398.18416260000004)
(S)-2,3-dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|5-O-methylglovanon|5-O-MG
14-angeloyloxy-3beta-hydroxycacalohastin propionate
15-bromo-2,7,16-trihydroxy-9(11)-parguerene
C20H31BrO3 (398.14564359999997)
6-acetyl-3-(5-hydroxy-3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one|rotiorinol B
1-acetyl-12,18-dihydroxy-11-methoxy-cur-19-en-17-al|Henningsolin
C22H26N2O5 (398.18416260000004)
1,4,5,6-tetrahydroxy-7,8-di(3-methylbut-2-enyl)xanthone
(1beta,6alpha)-1,6-dihydroxy-14-O-[(4-hydroxyphenyl)acetyl]eudesma-3,11(13)-dien-12-oic acid gamma-lactone|4-hydroxybenzeneacetic acid rel-[(3aR,5aS,6S,9aR,9bR)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-6-hydroxy-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-yl]methyl ester
18-hydroxy-1-methyl-19-nor-coryn-16-ene-5,17-dicarboxylic acid 5-methyl ester|19-hydroxy-5-methoxycarbonyl-1-methyl-18,19-seco-yohimb-16-en-18-oic acid|Cannagunin C
C22H26N2O5 (398.18416260000004)
methyl 5,10-dihydroxy-7-methoxy-1,1,3a-trimethyl-1a,2,3,3a,10c,10d-hexahydro-1H-4-oxacyclobuta[cd]indeno[5,6-a]naphthalene-9-carboxylate
jerantinine F
C22H26N2O5 (398.18416260000004)
An indole alkaloid isolated from Tabernaemontana corymbosa, and has been shown to exhibit cytotoxicity against human KB cells.
Ro 31-7549
Isodunnial
Isodunnianol is a natural product found in Illicium simonsii and Illicium dunnianum with data available.
Dunnial
Dunnianol is a natural product found in Illicium simonsii and Illicium dunnianum with data available.
Ademetionine
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. C26170 - Protective Agent > C275 - Antioxidant COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed) [HMDB]
2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate
C20H30O8_Picras-4-en-16-one, 1,2,11,12,14,15-hexahydroxy-, (1beta,2alpha,9xi,11beta,12alpha,15beta)
C18H26N2O8_1,5-Dideoxy-3-C-({[2-(gamma-glutamylamino)benzyl]oxy}carbonyl)-L-arabinitol
PTAQUILOSIDE
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 30 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-6-en-11-one_major
S-Adenosylmethionine
S-Adenosyl-DL-methionine is a derivative of Ademetionine (HY-B0617). Ademetionine is an intermediate metabolite of methionine[1].
(2R,3S,4S,9R,12R,13R,14S,15R,16R,17S)-3,4,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadec-6-en-11-one
Ala Ala His Thr
Ala Ala Thr His
Ala Asp Gly His
Ala Asp His Gly
Ala Asp Pro Pro
Ala Gly Asp His
Ala Gly His Asp
Ala His Ala Thr
Ala His Asp Gly
Ala His Gly Asp
Ala His Thr Ala
Ala Pro Asp Pro
Ala Pro Pro Asp
Ala Thr Ala His
Ala Thr His Ala
Asp Ala Gly His
Asp Ala His Gly
Asp Ala Pro Pro
Asp Gly Ala His
Asp Gly His Ala
Asp His Ala Gly
Asp His Gly Ala
Asp Pro Ala Pro
Asp Pro Pro Ala
Glu Gly Gly His
Glu Gly His Gly
Glu Gly Pro Pro
Glu His Gly Gly
Glu Pro Gly Pro
Glu Pro Pro Gly
Gly Ala Asp His
Gly Ala His Asp
Gly Asp Ala His
Gly Asp His Ala
Gly Glu Gly His
Gly Glu His Gly
Gly Glu Pro Pro
Gly Gly Glu His
Gly Gly His Glu
Gly His Ala Asp
Gly His Asp Ala
Gly His Glu Gly
Gly His Gly Glu
Gly His Ser Val
Gly His Val Ser
Gly Pro Glu Pro
Gly Pro Pro Glu
Gly Ser His Val
Gly Ser Val His
Gly Val His Ser
Gly Val Ser His
His Ala Ala Thr
His Ala Asp Gly
His Ala Gly Asp
His Ala Thr Ala
His Asp Ala Gly
His Asp Gly Ala
His Glu Gly Gly
His Gly Ala Asp
His Gly Asp Ala
His Gly Glu Gly
His Gly Gly Glu
His Gly Ser Val
His Gly Val Ser
His Ser Gly Val
His Ser Val Gly
His Thr Ala Ala
His Val Gly Ser
His Val Ser Gly
Pro Ala Asp Pro
Pro Ala Pro Asp
Pro Asp Ala Pro
Pro Asp Pro Ala
Pro Glu Gly Pro
Pro Glu Pro Gly
Pro Gly Glu Pro
Pro Gly Pro Glu
Pro Pro Ala Asp
Pro Pro Asp Ala
Pro Pro Glu Gly
Pro Pro Gly Glu
Ser Gly His Val
Ser Gly Val His
Ser His Gly Val
Ser His Val Gly
Ser Val Gly His
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Thr Ala Ala His
Thr Ala His Ala
Thr His Ala Ala
Val Gly His Ser
Val Gly Ser His
Val His Gly Ser
Val His Ser Gly
Val Ser Gly His
Val Ser His Gly
D 4476
C23H18N4O3 (398.13788379999994)
N-Feruloylglycyl-L-phenylalanine
3'-Hydroxy-T2-triol
Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside
Kanzonol M
N5-(2-((((S)-2,3-dihydroxy-2-((S)-1-hydroxyethyl)butanoyl)oxy)methyl)phenyl)glutamine
Berkeleylactone C
Berkeleylactone D
Finafloxacin
A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, 7 and 8 by cyclopropyl, fluoro, hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl and cyano groups respectively; an antibiotic used for treatment of acute otitis externa (swimmers ear) caused by the bacteria Pseudomonas aeruginosa and Staphylococcus aureus. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(2,4-difluorophenyl)- (9CI)
1-Tosyl-1H-Pyrrolo[2,3-b]pyridine-4-boronic acid pinacol ester
1-(benzenesulfonyl)-2-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE
Benzetimide hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists Benzetimide hydrochloride is a muscarinic acetylcholine receptor antagonist. Target: mAChR
2-Methyl-N-{4-[(5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)car bonyl]phenyl}benzamide
C25H22N2O3 (398.16303419999997)
4-[4-(4-AMINOMETHYLPHENOXY)-[2,2]BIPYRIDINYL-4-YLOXY]-BENZYLAMINE
Ethylene glycol, diethylene glycol, maleic anhydride, dicyclopentadiene polymer
5-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2-METHOXYCARBONYL-BENZOPHENONE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-c]pyridine
4-acetamido-2-acetoxy-4-dimethylamino-2-methoxycarbonyl-benzophenone
(2,6-Dimethoxy-[1,1-biphenyl]-2-yl)diphenylphosphine
1,5-divinyl-3,3-diphenyl-1,1,5,5-tetramethyltrisiloxane
Guanidine, (4-pyridylmethyl)-, sulfate (2:1) (8CI)
C14H22N8O4S (398.14846520000003)
8-(4-ethoxyphenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
C23H18N4O3 (398.13788379999994)
Solifenacin hydrochloride
Solifenacin hydrochloride (YM905 hydrochloride) is a muscarinic receptor antagonist, with pKis of 7.6, 6.9 and 8.0 for M1, M2 and M3 receptors, respectively.
1,2-bis-(Benzyloxycarbonyl)piperazine-3-carboxylic acid
Jerantinine B
C22H26N2O5 (398.18416260000004)
An indole alkaloid that is tabersonine substituted by a hydroxy group at potition 10, a methoxy group at position 11 and an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
Rotiorinol C
An azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 7-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity.
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
C25H22N2O3 (398.16303419999997)
Ethyl 3-({[(benzyloxy)imino]methyl}amino)-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate
C20H22N4O3S (398.14125420000005)
2-(2,6-dimethylmorpholine-4-carbonyl)-1-(3-methoxypropyl)pyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
C21H26N4O4 (398.19539560000004)
4-[6-(1-Adamantyl)-7-hydroxy-2-naphthalenyl]benzoic acid
2-((S)-2-((S)-2-Amino-3-(1H-imidazol-4-yl)propanamido)-3-(1H-indol-3-yl)propanamido)acetic acid
Hydrocinnamic acid, 3,4-bis(trimethylsiloxy)-, trimethylsilyl ester
4-{[5-Chloro-4-(1h-Indol-3-Yl)pyrimidin-2-Yl]amino}-N-Ethylpiperidine-1-Carboxamide
1,3,4,9-Tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2H-pyrido[3,4-B]indole
C25H22N2O3 (398.16303419999997)
1-((2-Hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Nalpha-[(benzyloxy)carbonyl]-N-[(1R)-4-hydroxy-1-methyl-2-oxobutyl]-L-phenylalaninamide
C22H26N2O5 (398.18416260000004)
3,3-[3,5-Difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide)
C20H18F2N5O2+ (398.14284919999994)
Camostat
COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AB - Proteinase inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Idalopirdine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
S-Adenosyl-DL-methionine
S-Adenosyl-DL-methionine is a derivative of Ademetionine (HY-B0617). Ademetionine is an intermediate metabolite of methionine[1].
3,4,12,13,15,16-Hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-6-en-11-one
Methyl 21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate
C22H26N2O5 (398.18416260000004)
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
1-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]propan-2-one
C15H26O12 (398.14241960000004)
Methyl 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonate
N-[(3R)-2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N-(3-methylphenyl)urea
L-365260 is an orally active and selective antagonist of non-peptide gastrin and brain cholecystokinin receptor (CCK-B), with Kis of 1.9 nM and 2.0 nM, respectively. L-365260 interacts in a stereoselective and competitive manner with guinea pig stomach gastrin and brain CCK receptors. L-365260 can enhance Morphine analgesia and prevents Morphine tolerance[1][2][3].
Chaetoviridin H
An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum.
Alstolobine A, (rel)-
C22H26N2O5 (398.18416260000004)
A natural product found in Alstonia spatulata.
N-[2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol-5-yl]-methanesulfonamide
6,7-dimethoxy-N-[(5-methyl-2-furanyl)methyl]-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide
C22H26N2O5 (398.18416260000004)
4-(1-Naphthylmethoxy)benzaldehyde (5-nitro-2-pyridinyl)hydrazone
C23H18N4O3 (398.13788379999994)
4-[[Oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester
C23H18N4O3 (398.13788379999994)
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
N-[3-(3-chlorophenyl)phenyl]-1-(3-oxolanylmethyl)-4-piperidinecarboxamide
N-((S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pyrrolidine-2-carboxamide
C22H26N2O3S (398.1664046000001)
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester
7-hydroxy-4-(4-methoxyphenyl)-4,4,5-trimethyl-2-spiro[1,3-diazinane-6,2-3,4-dihydro-2H-1-benzopyran]thione
C22H26N2O3S (398.1664046000001)
N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate
4-[3-(3-dioxaziridinyl)phenyl]-5-(3-hydroxy-1-oxopropyl)-2,6-dimethyl-1-prop-2-ynyl-4H-pyridine-3-carboxylic acid methyl ester
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(5Z,11R)-3-[(4-chlorophenyl)methyl]-11-phenyl-1-oxa-3,10-diazacyclododec-5-ene-2,9-dione
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
C20H25F3N2O3 (398.18171759999996)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
C20H25F3N2O3 (398.18171759999996)
[(3aR,4R,9bR)-1-(4-methylphenyl)sulfonyl-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C22H26N2O3S (398.1664046000001)
(6R,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
C20H25F3N2O3 (398.18171759999996)
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
C20H25F3N2O3 (398.18171759999996)
(1S,9R,10R,11R)-10-(hydroxymethyl)-12-(1,3-oxazol-4-ylmethyl)-11-(piperidine-1-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C21H26N4O4 (398.19539560000004)
(1R,9S,10S,11S)-10-(hydroxymethyl)-12-(1,3-oxazol-4-ylmethyl)-11-(piperidine-1-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C21H26N4O4 (398.19539560000004)
[(3aS,4S,9bS)-1-(4-methylphenyl)sulfonyl-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C22H26N2O3S (398.1664046000001)
(6R,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-2-methyl-3-oxopentoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-2-methyl-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-4-methyl-3-oxopentoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
2-[(3-Acetyloxy-2-hexanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[2,3-Di(butanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-pentanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
(2R,3aR,7S)-7-hydroxy-2,5,7-trimethyl-3a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,7a-dihydro-2H-indene-6,1-cyclopropane]-1-one
CD437
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents
9-deoxy-hymatoxin A
An organic heterotetracyclic compound that is isopimarane in which a hydrogen at position 2 of the 13-ethyl substituent has been replaced by a (sulfooxy) group, a double bond has been introduced at the 7-8 position, and the beta-methyl group at position 4 has been oxidised to the corrsponding carboxy group and coupled to position 6 to give a gamma-lactone. Isolated from an avendophytic fungus, Xylaria sp. YM 311647, obtained from Azadirachta indica, it shows potent inhibitory activity against C. albicans and Pyricularia oryzae.
Didesmethyl cariprazine
Didesmethyl cariprazine is a metabolite of Cariprazine and acts as the predominant circulating active moiety. Didesmethyl cariprazine has a long half-life of 1-3 weeks. Cariprazine is a antipsychotic agent candidate that exhibits high affinity for the D3 and D2 receptors, and moderate affinity for the 5-HT1A receptor[1].
MIF-1 (TFA)
MIF-1 TFA (Melanostatin), an endogenous brain peptide, is a potent dopamine receptor allosteric modulator. MIF-1 TFA inhibits melanin formation. MIF-1 TFA blocks the effects of opioid receptor activation to modulate the analgesic effects. MIF-1 TFA accesses from the blood to the CNS by directly crossing the blood-brain barrier (BBB)[1][2][3].