Exact Mass: 456.1752542
Exact Mass Matches: 456.1752542
Found 500 metabolites which its exact mass value is equals to given mass value 456.1752542
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Delavirdine
C22H28N6O3S (456.19434980000005)
Delavirdine is only found in individuals that have used or taken this drug. It is a potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. [PubChem]Delavirdine binds directly to viral reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by disrupting the enzymes catalytic site. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
Atrovirinone
Atrovirinone is found in fruits. Atrovirinone is a constituent of the roots of Garcinia atroviridis (gelugor) Constituent of the roots of Garcinia atroviridis (gelugor). Atrovirinone is found in fruits.
3-Hydroxymethyl-picumast
C25H29ClN2O4 (456.18157440000004)
Indoxam
3-Isopropyl-5-(4-(((6-(4-(methylsulfonyl)phenyl)pyridin-3-yl)oxy)methyl)piperidin-1-yl)-1,2,4-oxadiazole
C23H28N4O4S (456.18311680000005)
Lactupicrin methyl ester
Lactupicrin methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lactupicrin methyl ester can be found in chicory, which makes lactupicrin methyl ester a potential biomarker for the consumption of this food product.
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-4,5,8,17-tetrol 1
CONFIDENCE Predicted
2,6-Bis(4-hydroxybenzyl)-3,3-dihydroxy-5-methoxybibenzyl
aspernigrin B
A pyridine alkaloid with formula C27H24N2O5 that is isolated from Aspergillus niger and displays neuroprotective protperties.
Lobaric acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
13-Me ether,3-O-beta-D-glucopyranoside-3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide
(2R,3R)-3,3,4,5,7-tetrahydroxy-3-methoxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone
4-[2-(3-Methoxyphenyl)ethyl]-2-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenoxy]phenol
alpha-Pyranose-alpha-L-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose|beta-Pyranose-alpha-D-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-D-rhamnopyranosyl-(1鈥樏傗垎2)-L-rhamnose
11a-hydroxy-7,8-dimethoxy-13-methyl-1a,2,3a,4,9c,9d,11,11a-octahydro-5h,10h-9b,11b-(ethanoiminomethano)-1,3-dioxa-5a-azacyclopropa[4,5]cyclohepta[1,2,3-cd]fluoranthene-5,10-dione
Dehydroaustinol
A meroterpenoid produced by Aspergillus nidulans. It has an oxygen-bridged pentacyclic structure which incorporates three lactone functionalities and a spiro union.
(8E)-decaene-4,6-diyn-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
3,3,4,5,8-Penta-Me ether,7-O-(3-methyl-2-butenyl)-Gossypetin
6,7-dimethylbenzofuran-5-yl beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside
C21H28O11 (456.16315380000003)
alpha-D-Rhamnopyranosyl-(1鈥樏傗垎2)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose|alpha-L-Rhamnopyranosyl-(1鈥樏傗垎2)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎3)-L-rhamnose
1-(2-hydroxy-3-O-beta-D-cymaropyranosyl-6-O-beta-D-oleandropyranosyl-phenyl)-ethanone
8-(7??-hydroxy-3??,7??-dimethyl-oct-2??-enyl)quercetin|solophenol C
2-(7??-hydroxy-3??,7??-dimethyl-oct-2??-enyl)quercetin|solophenol B
jatairidoids C|[(1R,3R,4aR,6S,7R,7aS)-6-(acetyloxy)hexahydro-1,4a-dihydroxy-4-methylidene-3,7-epoxycyclopenta[c]pyran-7(1H)-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate
3-methyl-O-[alpha-arabinopyranosyl-(1->6)-beta-glucopyranosyl]-6-methyl-benzofuran
C21H28O11 (456.16315380000003)
1alpha,9beta-difuranoyloxy-2-oxodihydro-beta-agarofuran
3,3-Dimethoxy-2,4-diacetoxy-5-(3-acetoxy-propyl)-stilben|trans-2,4-diacetoxy-5-(3-acetoxypropyl)-3,3-dimethoxystilbene
(1S,3aR,4S,9aR)-4-(4-acetoxy-3-methoxyphenyl)-1,7-dimethoxy-1,3,3a,4,9,9a-hexahydronaphtho<2,3-c>furan-6-yl acetate|formosanol diacetate|Methyl-alpha-conidendraldiacetat|tsugacetal diacetate
2(S)-5,6,7-trihydroxy-5-prenyl-[2,2-(3,4-dihydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
alpha-Pyranose-alpha-L-Rhamnopyranosyl-(1鈥樏傗垎3)-alpha-L-rhamnopyranosyl-(1鈥樏傗垎2)-L-rhamnose
Asp Ala His Asp
9-keto Fluprostenol
C23H27F3O6 (456.17596380000003)
PF-3845
PF-3845 is a potent, selective, irreversible and orally active inhibitor of fatty acid amide hydrolase (FAAH), with a Ki of 0.23 μM. PF-3845 is a covalent inhibitor that carbamylates FAAH's serine nucleophile. PF-3845 can reduce pain sensation, inflammation, and anxiety/depression without substantial effects on motility or cognition[1][3].
11-keto Fluprostenol
C23H27F3O6 (456.17596380000003)
6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one
C21H28O11 (456.16315380000003)
C25H28O8_(1S,2R,3R,7R,8R,9S,13R)-8-Hydroxy-2,2,2,9,13-pentamethyl-6,16-bis(methylene)-6H-spiro[pyran-3,5-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecane]-6,11,15-trione
C25H28O8_12H-6,13-Epoxy-8,12a-methano-2H,7H-furo[3,4:6,7]oxireno[3,4]heptaleno[3,2-c]pyran-4,9,12(6H,8H)-trione, 6a,9a,10,12b,13,13a-hexahydro-9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene
2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,⁹.0²,¹¹.0³,⁷.0¹³,¹⁸.0¹⁸,²⁰]docos-13-ene-4,8,15-trione
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-4,5,8,17-tetrol 2
CONFIDENCE Predicted
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,⁹.0²,¹¹.0³,⁷.0¹³,¹⁸.0¹⁸,²⁰]docos-13-ene-4,8,15-trione_major
2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one_major
7-hydroxy-2,6,9,12,17,17-hexamethyl-22-methylidene-5,16,19,21-tetraoxaheptacyclo[10.8.1.1³,?.0²,¹¹.0³,?.0¹³,¹?.0¹?,²?]docos-13-ene-4,8,15-trione
Ala Cys Thr Tyr
Ala Cys Tyr Thr
Ala Asp Asp His
Ala Asp His Asp
Ala Glu His Thr
Ala Glu Thr His
Ala Phe Gly Tyr
Ala Phe Tyr Gly
Ala Gly Phe Tyr
Ala Gly Tyr Phe
Ala His Asp Asp
Ala His Glu Thr
Ala His Thr Glu
Ala Thr Cys Tyr
Ala Thr Glu His
Ala Thr His Glu
Ala Thr Tyr Cys
Ala Tyr Cys Thr
Ala Tyr Phe Gly
Ala Tyr Gly Phe
Ala Tyr Thr Cys
Cys Ala Thr Tyr
Cys Ala Tyr Thr
Cys Phe Gly Met
Cys Phe Met Gly
Cys Phe Ser Thr
Cys Phe Thr Ser
Cys Gly Phe Met
Cys Gly Met Phe
Cys His Pro Thr
C18H28N6O6S (456.17909480000003)
Cys His Thr Pro
C18H28N6O6S (456.17909480000003)
Cys Met Phe Gly
Cys Met Gly Phe
Cys Pro His Thr
C18H28N6O6S (456.17909480000003)
Cys Pro Thr His
C18H28N6O6S (456.17909480000003)
Cys Ser Phe Thr
Cys Ser Thr Phe
Cys Thr Ala Tyr
Cys Thr Phe Ser
Cys Thr His Pro
C18H28N6O6S (456.17909480000003)
Cys Thr Pro His
C18H28N6O6S (456.17909480000003)
Cys Thr Ser Phe
Cys Thr Tyr Ala
Cys Tyr Ala Thr
Cys Tyr Thr Ala
Asp Ala Asp His
Asp Asp Ala His
Asp Asp His Ala
Asp Glu Gly His
Asp Glu His Gly
Asp Glu Pro Pro
C19H28N4O9 (456.18561980000004)
Asp Gly Glu His
Asp Gly His Glu
Asp His Ala Asp
Asp His Asp Ala
Asp His Glu Gly
Asp His Gly Glu
Asp His Ser Val
Asp His Val Ser
Asp Pro Glu Pro
C19H28N4O9 (456.18561980000004)
Asp Pro Pro Glu
C19H28N4O9 (456.18561980000004)
Asp Ser His Val
Asp Ser Val His
Asp Val His Ser
Asp Val Ser His
Glu Ala His Thr
Glu Ala Thr His
Glu Asp Gly His
Glu Asp His Gly
Glu Asp Pro Pro
C19H28N4O9 (456.18561980000004)
Glu Gly Asp His
Glu Gly His Asp
Glu His Ala Thr
Glu His Asp Gly
Glu His Gly Asp
Glu His Thr Ala
Glu Pro Asp Pro
C19H28N4O9 (456.18561980000004)
Glu Pro Pro Asp
C19H28N4O9 (456.18561980000004)
Glu Thr Ala His
Glu Thr His Ala
Phe Ala Gly Tyr
Phe Ala Tyr Gly
Phe Cys Gly Met
Phe Cys Met Gly
Phe Cys Ser Thr
Phe Cys Thr Ser
Phe Phe Gly Ser
Phe Phe Ser Gly
Phe Gly Ala Tyr
Phe Gly Cys Met
Phe Gly Phe Ser
Phe Gly Met Cys
Phe Gly Ser Phe
Phe Gly Tyr Ala
Phe Met Cys Gly
Phe Met Gly Cys
Phe Ser Cys Thr
Phe Ser Phe Gly
Phe Ser Gly Phe
Phe Ser Thr Cys
Phe Thr Cys Ser
Phe Thr Ser Cys
Phe Tyr Ala Gly
Phe Tyr Gly Ala
Gly Ala Phe Tyr
Gly Ala Tyr Phe
Gly Cys Phe Met
Gly Cys Met Phe
Gly Asp Glu His
Gly Asp His Glu
Gly Glu Asp His
Gly Glu His Asp
Gly Phe Ala Tyr
Gly Phe Cys Met
Gly Phe Phe Ser
Gly Phe Met Cys
Gly Phe Ser Phe
Gly Phe Tyr Ala
Gly His Asp Glu
Gly His Glu Asp
Gly Met Cys Phe
Gly Met Phe Cys
Gly Met Ser Tyr
Gly Met Tyr Ser
Gly Ser Phe Phe
Gly Ser Met Tyr
Gly Ser Tyr Met
Gly Tyr Ala Phe
Gly Tyr Phe Ala
Gly Tyr Met Ser
Gly Tyr Ser Met
His Ala Asp Asp
His Ala Glu Thr
His Ala Thr Glu
His Cys Pro Thr
C18H28N6O6S (456.17909480000003)
His Cys Thr Pro
C18H28N6O6S (456.17909480000003)
His Asp Ala Asp
His Asp Asp Ala
His Asp Glu Gly
His Asp Gly Glu
His Asp Ser Val
His Asp Val Ser
His Glu Ala Thr
His Glu Asp Gly
His Glu Gly Asp
His Glu Thr Ala
His Gly Asp Glu
His Gly Glu Asp
His Pro Cys Thr
C18H28N6O6S (456.17909480000003)
His Pro Thr Cys
C18H28N6O6S (456.17909480000003)
His Ser Asp Val
His Ser Val Asp
His Thr Ala Glu
His Thr Cys Pro
C18H28N6O6S (456.17909480000003)
His Thr Glu Ala
His Thr Pro Cys
C18H28N6O6S (456.17909480000003)
His Val Asp Ser
His Val Ser Asp
Met Cys Phe Gly
Met Cys Gly Phe
Met Phe Cys Gly
Met Phe Gly Cys
Met Gly Cys Phe
Met Gly Phe Cys
Met Gly Ser Tyr
Met Gly Tyr Ser
Met Ser Gly Tyr
Met Ser Tyr Gly
Met Tyr Gly Ser
Met Tyr Ser Gly
Pro Cys His Thr
C18H28N6O6S (456.17909480000003)
Pro Cys Thr His
C18H28N6O6S (456.17909480000003)
Pro Asp Glu Pro
C19H28N4O9 (456.18561980000004)
Pro Asp Pro Glu
C19H28N4O9 (456.18561980000004)
Pro Glu Asp Pro
C19H28N4O9 (456.18561980000004)
Pro Glu Pro Asp
C19H28N4O9 (456.18561980000004)
Pro His Cys Thr
C18H28N6O6S (456.17909480000003)
Pro His Thr Cys
C18H28N6O6S (456.17909480000003)
Pro Pro Asp Glu
C19H28N4O9 (456.18561980000004)
Pro Pro Glu Asp
C19H28N4O9 (456.18561980000004)
Pro Thr Cys His
C18H28N6O6S (456.17909480000003)
Pro Thr His Cys
C18H28N6O6S (456.17909480000003)
Ser Cys Phe Thr
Ser Cys Thr Phe
Ser Asp His Val
Ser Asp Val His
Ser Phe Cys Thr
Ser Phe Phe Gly
Ser Phe Gly Phe
Ser Phe Thr Cys
Ser Gly Phe Phe
Ser Gly Met Tyr
Ser Gly Tyr Met
Ser His Asp Val
Ser His Val Asp
Ser Met Gly Tyr
Ser Met Tyr Gly
Ser Ser Thr Tyr
C19H28N4O9 (456.18561980000004)
Ser Ser Tyr Thr
C19H28N4O9 (456.18561980000004)
Ser Thr Cys Phe
Ser Thr Phe Cys
Ser Thr Ser Tyr
C19H28N4O9 (456.18561980000004)
Ser Thr Tyr Ser
C19H28N4O9 (456.18561980000004)
Ser Val Asp His
Ser Val His Asp
Ser Tyr Gly Met
Ser Tyr Met Gly
Ser Tyr Ser Thr
C19H28N4O9 (456.18561980000004)
Ser Tyr Thr Ser
C19H28N4O9 (456.18561980000004)
Thr Ala Cys Tyr
Thr Ala Glu His
Thr Ala His Glu
Thr Ala Tyr Cys
Thr Cys Ala Tyr
Thr Cys Phe Ser
Thr Cys His Pro
C18H28N6O6S (456.17909480000003)
Thr Cys Pro His
C18H28N6O6S (456.17909480000003)
Thr Cys Ser Phe
Thr Cys Tyr Ala
Thr Glu Ala His
Thr Glu His Ala
Thr Phe Cys Ser
Thr Phe Ser Cys
Thr His Ala Glu
Thr His Cys Pro
C18H28N6O6S (456.17909480000003)
Thr His Glu Ala
Thr His Pro Cys
C18H28N6O6S (456.17909480000003)
Thr Pro Cys His
C18H28N6O6S (456.17909480000003)
Thr Pro His Cys
C18H28N6O6S (456.17909480000003)
Thr Ser Cys Phe
Thr Ser Phe Cys
Thr Ser Ser Tyr
C19H28N4O9 (456.18561980000004)
Thr Ser Tyr Ser
C19H28N4O9 (456.18561980000004)
Thr Tyr Ala Cys
Thr Tyr Cys Ala
Thr Tyr Ser Ser
C19H28N4O9 (456.18561980000004)
Val Asp His Ser
Val Asp Ser His
Val His Asp Ser
Val His Ser Asp
Val Ser Asp His
Val Ser His Asp
Tyr Ala Cys Thr
Tyr Ala Phe Gly
Tyr Ala Gly Phe
Tyr Ala Thr Cys
Tyr Cys Ala Thr
Tyr Cys Thr Ala
Tyr Phe Ala Gly
Tyr Phe Gly Ala
Tyr Gly Ala Phe
Tyr Gly Phe Ala
Tyr Gly Met Ser
Tyr Gly Ser Met
Tyr Met Gly Ser
Tyr Met Ser Gly
Tyr Ser Gly Met
Tyr Ser Met Gly
Tyr Ser Ser Thr
C19H28N4O9 (456.18561980000004)
Tyr Ser Thr Ser
C19H28N4O9 (456.18561980000004)
Tyr Thr Ala Cys
Tyr Thr Cys Ala
Tyr Thr Ser Ser
C19H28N4O9 (456.18561980000004)
15-keto Fluprostenol
C23H27F3O6 (456.17596380000003)
Atrovirinone
9a-hydroxy-2,2,6,8,10,12b-hexamethyl-15-methylene-6a,7,8,9a,10,12b,13,13a-octahydro-2H,9H,12H-6,13-epoxy-8,12a-methanofuro[3,4:6,7]oxireno[2,3:3,4]heptaleno[3,2-c]pyran-4,9,12(6H)-trione
Levocabastine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
1H-1-Benzazepine-1-aceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3,4,5-tetrahydro-2-oxo-(9CI)
1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol,dihydrochloride
C23H34Cl2N2O3 (456.19463540000004)
3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamide
n,n-methanetetraylbis[4-[(4-isocyanatophenyl)methyl]-benzenamin
5-(8-AMINO-7-CHLORO-2,3-DIHYDROBENZO[B][1,4]DIOXIN-5-YL)-3-(1-PHENETHYLPIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE
1-[3-(1,3-benzodioxol-5-yloxy)propyl]-4-phenylpiperazine
AZD 3988
C23H22F2N4O4 (456.16090360000004)
AZD3988 is an orally active diacylglycerol acyl transferase-1 (DGAT-1) inhibitor. AZD3988 has excellent DGAT-1 (human) potency with an IC50 value of 0. 6 nM. AZD3988 can be used for the research of metabolic diseases such as diabetes, obesity[1].
1,7-Bis(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
C17H33N2O8PS (456.16951480000006)
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-4,5,8,17-tetrol
3-Hydroxy-9-methoxy-6-oxo-8-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
C23H26N3O7- (456.17706660000005)
2-[[4-(3-amino-1-oxo-5,6,6a,7-tetrahydro-2H-imidazo[1,5-f]pteridin-10-ium-8-yl)benzoyl]amino]pentanedioic acid
S-hexanoyl-4-phosphopantetheine
C17H33N2O8PS (456.16951480000006)
An S-acyl-4-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4-phosphate with the carboxy group of hexanoic acid.
(2E)-2-(4-methylbenzylidene)-6-[4-(2-pyridyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
3-(3-Chlorophenyl)-1-[(1-methyl-3-indolyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea
C24H29ClN4OS (456.17504940000003)
N-[1,4-dimethyl-2,3-dioxo-7-(1-piperidinyl)-6-quinoxalinyl]-4-ethylbenzenesulfonamide
C23H28N4O4S (456.18311680000005)
1-[1-[[1-[(4-Methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole
(6R,7R,8S)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-(4-((E)-styryl)phenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnosyl-(1->2)-alpha-L-rhamnose
Ethyl 2-[5-benzyloxy-4-(trifluoromethyl)biphenyl-3-yl]pentanoate
alpha-D-rhamnopyranosyl-(1->2)-alpha-D-rhamnopyranosyl-(1->3)-alpha-D-rhamnopyranose
alpha-D-rhamnopyranosyl-(1->3)-alpha-D-rhamnopyranosyl-(1->2)-alpha-D-rhamnopyranose
alpha-D-abequosyl-(1->3)-alpha-D-mannosyl-(1->4)-alpha-L-rhamnose
alpha-D-rhamnopyranosyl-(1->2)-[alpha-D-rhamnopyranosyl-(1->3)]-alpha-D-rhamnopyranose
2-[(2R,4aS,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C24H25FN2O6 (456.16965619999996)
[(3aR,4S,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
2-[(2S,4aS,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C24H25FN2O6 (456.16965619999996)
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]oxane-4-carboxamide
2-[(2S,4aS,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C24H25FN2O6 (456.16965619999996)
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C24H25FN2O6 (456.16965619999996)
[(3aR,4R,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4R,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C23H25FN4O3S (456.16313119999995)
[(3aS,4S,9bS)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C23H25FN4O3S (456.16313119999995)
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-methoxyethanone
C23H28N4O4S (456.18311680000005)
(6R,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide
2-[(2R,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C24H25FN2O6 (456.16965619999996)
2-[(2R,4aR,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C24H25FN2O6 (456.16965619999996)
[(3aS,4R,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-8-[2-(4-fluorophenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4S,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C23H25FN4O3S (456.16313119999995)
[(3aS,4R,9bS)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
C23H25FN4O3S (456.16313119999995)
(3aR,4R,9bS)-8-(4-cyanophenyl)-N-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
C27H25FN4O2 (456.19614419999994)
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-methoxyethanone
C23H28N4O4S (456.18311680000005)
(6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-(3-fluorobenzoyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester
3,4,5-trihydroxy-6-[(E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxyoxane-2-carboxylic acid
6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one
C21H28O11 (456.16315380000003)
Delavirdine
C22H28N6O3S (456.19434980000005)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
(6R)-5,10-Methenyltetrahydrofolic acid
The 5,10-methenyl derivative of tetrahydrofolic acid arising from enzymatic cyclisation of 5-formyltetrahydrofolic acid.
minocycline(1-)
C23H26N3O7 (456.17706660000005)
An organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group.
P2X3 antagonist 34
C24H26F2N4O3 (456.19728699999996)
P2X3 antagonist 34 is a potent, selective and orally active P2X3 homotrimeric receptor antagonist with IC50s of 25?nM, 92?nM and 126?nM for human P2X3, rat P2X3 and guinea pig P2X3 receptors, respectively. P2X3 antagonist 34 is less active against human, rat and guinea pig P2X2/3 heterotrimeric receptors. P2X3 antagonist 34 has strong anti-tussive effect[1].
13,15-dimethyl 15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate
2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3,5,7(30),10(29),11,13,16,18,20,24,27-dodecaene-4,5,8,17-tetrol
14-hydroxy-2,6,6,13,16,19-hexamethyl-7,15,17,20-tetraoxaspiro[heptacyclo[11.8.1.0¹,¹⁸.0²,¹¹.0⁵,¹⁰.0¹¹,¹⁶.0¹⁴,¹⁸]docosane-22,2'-oxirane]-4,9-diene-8,21-dione
(2r,3r,4s,5s,6r)-2-[(8e)-dec-8-en-4,6-diyn-1-yloxy]-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
4-benzyl-1-[1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-6-oxopyridine-3-carboximidic acid
2,18-dimethyl 17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate
(1'r,2's,3r,9's,12'r,13'r)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6'-ene-6,8',11',15'-tetrone
(3,4,5-trihydroxy-6-{[2-(4-hydroxycyclohex-1-en-1-yl)acetyl]oxy}oxan-2-yl)methyl 2-(4-hydroxycyclohex-1-en-1-yl)acetate
(3s,6s)-3-({4-[(2s)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl}methyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
(7r,8s,8as)-8-(acetyloxy)-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 2,4-dimethoxy-6-methylbenzoate
{2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-2,3-dihydro-1-benzofuran-3-yl}methyl acetate
3-(4-amino-5-hydroxy-6-methyloxan-2-yl)-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,12-diol
(3r,3ar,4r,6ar,8s,9ar,9br)-4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one
(1r,2s,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]heptadecan-2-yl (2z)-2-methylbut-2-enoate
8-hydroxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-6',11,15-trione
2,18-dimethyl (1s,9r,16r,17r,18r,21r)-17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate
5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9h,9ah-cyclopropa[a]phenanthren-9-yl acetate
C22H33BrO5 (456.15112280000005)