Exact Mass: 422.209313
Exact Mass Matches: 422.209313
Found 500 metabolites which its exact mass value is equals to given mass value 422.209313
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fludrocortisone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; INTERNAL_ID 2101 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Blasticidin S
Contact fungicide used against rice blast disease in Japan Blasticidin S is an antibiotic used to select transformed cells in genetic engineering. In short, DNA of interest is fused to DNA encoding a resistance gene, and then is transformed into cells. After allowing time for recovery and for cells to begin transcribing and translating their new DNA, blasticidin is added. Now only the cells that have the new DNA can grow D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents KEIO_ID B019; [MS3] KO008877 KEIO_ID B019; [MS2] KO008876 D004791 - Enzyme Inhibitors KEIO_ID B019
1-Octen-3-yl primeveroside
1-Octen-3-yl primeveroside is found in herbs and spices. 1-Octen-3-yl primeveroside is a constituent of spearmint (Mentha spicata var. crispa). Constituent of spearmint (Mentha spicata variety crispa). 1-Octen-3-yl primeveroside is found in herbs and spices.
Kanzonol J
Kanzonol J is found in herbs and spices. Kanzonol J is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol J is found in herbs and spices.
2',4,4'-Trihydroxy-6'-methoxy-3',5'-diprenylchalcone
2,4,4-Trihydroxy-6-methoxy-3,5-diprenylchalcone is found in alcoholic beverages. 2,4,4-Trihydroxy-6-methoxy-3,5-diprenylchalcone is a constituent of Humulus lupulus (hops) Constituent of Humulus lupulus (hops). 2,4,4-Trihydroxy-6-methoxy-3,5-diprenylchalcone is found in alcoholic beverages.
1-Methoxyficifolinol
1-Methoxyficifolinol is found in root vegetables. 1-Methoxyficifolinol is isolated from licorice (Glycyrrhiza sp.). Isolated from licorice (Glycyrrhiza species). 1-Methoxyficifolinol is found in root vegetables.
Fludrocortisone acetate
Xanthoangelol G
Xanthoangelol g is a member of the class of compounds known as 3-prenylated chalcones. 3-prenylated chalcones are chalcones featuring a C5-isoprenoid unit at the 3-position. Thus, xanthoangelol g is considered to be a flavonoid lipid molecule. Xanthoangelol g is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol g can be found in angelica, which makes xanthoangelol g a potential biomarker for the consumption of this food product.
Nitidulin
5-Deoxyhomoflemingin
1-Methoxyficifolinol
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl groups at positions 2 and 8. It has been isolated from Glycyrrhiza uralensis.
1-[2-Methoxy-3-(3-methyl-2-butenyl)-4-hydroxyphenyl]-3-[3-(3-methyl-2-butenyl)-4-hydroxyphenyl]-1,3-propanedione
14,15beta;21,23-Diepoxy-4,4,8-trimethyl-24-nor-5xi,13alpha,14beta,17betaH-chola-1,20,22-trien-3,6,7-trion|14,15beta;21,23-diepoxy-4,4,8-trimethyl-24-nor-5xi,13alpha,14beta,17betaH-chola-1,20,22-triene-3,6,7-trione
oct-1-en-3-yl alpha-arabinofuranosyl-(1->6)-beta-glucopyranoside
lespeflorin D1
A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 4, a methoxy group at position 2 and prenyl groups at positions 8 and 3. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
OC1=C(C=C2C(C(COC2=C1)C1=C(C=C(C=C1)O)OC)=O)CC=C(/C)CCC=C(C)C
2,4,4-trihydroxy-3-[(2E)-5-methoxy-3,7-dimethylocta-2,6-dienyl]chalcone
1,1-bis-<2-senecionyl-4-(1-ethyl)-phenoxy>ether|1,1-bis-[2-senecionyl-4-(1-ethyl)-phenoxy]ether|meso-1,1-bis-<2-senecionyl-4-(1-ethyl)-phenoxy>ether
5,7-dihydroxy-4-methoxy-8,3-bis(3-methylbut-2-enyl)-flavan-4-one|nimbaflavone
2,2-Dimethyl-5-(4-hydroxyphenethyl)-7-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid methyl ester
(6aR,11aR)-3,9-dihydroxy-4-geranyl-1-methoxypterocarpan|bicolosin C
withahisolide E|[(20S,22R,24R)-6alpha,7alpha-epoxy-5alpha-hydroxy-27,28-dinor-17(13?18)-abeo-1-oxo-5alpha-ergost-2,13,15,17-tetraen-22,25-olide]
2,3-Dihydro-3-(2-methoxy-4-hydroxyphenyl)-6,8-di(3-methyl-2-butenyl)-7-hydroxychromone
lespeflorin G2
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 8, a methoxy group at position 9 and prenyl groups at positions 2 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
fludrocortisone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 3240 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triol
2-oct-1-en-3-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
(2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Ala Ala Val Tyr
Ala Ala Tyr Val
Ala Phe Ser Val
Ala Phe Val Ser
Ala Gly Ile Tyr
Ala Gly Leu Tyr
Ala Gly Tyr Ile
Ala Gly Tyr Leu
Ala Ile Gly Tyr
Ala Ile Tyr Gly
Ala Leu Gly Tyr
Ala Leu Tyr Gly
Ala Ser Phe Val
Ala Ser Val Phe
Ala Val Ala Tyr
Ala Val Phe Ser
Ala Val Ser Phe
Ala Val Tyr Ala
Ala Tyr Ala Val
Ala Tyr Gly Ile
Ala Tyr Gly Leu
Ala Tyr Ile Gly
Ala Tyr Leu Gly
Ala Tyr Val Ala
Phe Ala Ser Val
Phe Ala Val Ser
Phe Gly Ile Ser
Phe Gly Leu Ser
Phe Gly Ser Ile
Phe Gly Ser Leu
Phe Gly Thr Val
Phe Gly Val Thr
Phe Ile Gly Ser
Phe Ile Ser Gly
Phe Leu Gly Ser
Phe Leu Ser Gly
Phe Ser Ala Val
Phe Ser Gly Ile
Phe Ser Gly Leu
Phe Ser Ile Gly
Phe Ser Leu Gly
Phe Ser Val Ala
Phe Thr Gly Val
Phe Thr Val Gly
Phe Val Ala Ser
Phe Val Gly Thr
Phe Val Ser Ala
Phe Val Thr Gly
Gly Ala Ile Tyr
Gly Ala Leu Tyr
Gly Ala Tyr Ile
Gly Ala Tyr Leu
Gly Phe Ile Ser
Gly Phe Leu Ser
Gly Phe Ser Ile
Gly Phe Ser Leu
Gly Phe Thr Val
Gly Phe Val Thr
Gly Ile Ala Tyr
Gly Ile Phe Ser
Gly Ile Ser Phe
Gly Ile Tyr Ala
Gly Leu Ala Tyr
Gly Leu Phe Ser
Gly Leu Ser Phe
Gly Leu Tyr Ala
Gly Ser Phe Ile
Gly Ser Phe Leu
Gly Ser Ile Phe
Gly Ser Leu Phe
Gly Thr Phe Val
Gly Thr Val Phe
Gly Val Phe Thr
Gly Val Thr Phe
Gly Tyr Ala Ile
Gly Tyr Ala Leu
Gly Tyr Ile Ala
Gly Tyr Leu Ala
Ile Ala Gly Tyr
Ile Ala Tyr Gly
Ile Phe Gly Ser
Ile Phe Ser Gly
Ile Gly Ala Tyr
Ile Gly Phe Ser
Ile Gly Ser Phe
Ile Gly Tyr Ala
Ile Ser Phe Gly
Ile Ser Gly Phe
Ile Tyr Ala Gly
Ile Tyr Gly Ala
Leu Ala Gly Tyr
Leu Ala Tyr Gly
Leu Phe Gly Ser
Leu Phe Ser Gly
Leu Gly Ala Tyr
Leu Gly Phe Ser
Leu Gly Ser Phe
Leu Gly Tyr Ala
Leu Ser Phe Gly
Leu Ser Gly Phe
Leu Tyr Ala Gly
Leu Tyr Gly Ala
Ser Ala Phe Val
Ser Ala Val Phe
Ser Phe Ala Val
Ser Phe Gly Ile
Ser Phe Gly Leu
Ser Phe Ile Gly
Ser Phe Leu Gly
Ser Phe Val Ala
Ser Gly Phe Ile
Ser Gly Phe Leu
Ser Gly Ile Phe
Ser Gly Leu Phe
Ser Ile Phe Gly
Ser Ile Gly Phe
Ser Leu Phe Gly
Ser Leu Gly Phe
Ser Val Ala Phe
Ser Val Phe Ala
Thr Phe Gly Val
Thr Phe Val Gly
Thr Gly Phe Val
Thr Gly Val Phe
Thr Thr Thr Thr
Thr Val Phe Gly
Thr Val Gly Phe
Val Ala Ala Tyr
Val Ala Phe Ser
Val Ala Ser Phe
Val Ala Tyr Ala
Val Phe Ala Ser
Val Phe Gly Thr
Val Phe Ser Ala
Val Phe Thr Gly
Val Gly Phe Thr
Val Gly Thr Phe
Val Ser Ala Phe
Val Ser Phe Ala
Val Thr Phe Gly
Val Thr Gly Phe
Val Tyr Ala Ala
Tyr Ala Ala Val
Tyr Ala Gly Ile
Tyr Ala Gly Leu
Tyr Ala Ile Gly
Tyr Ala Leu Gly
Tyr Ala Val Ala
Tyr Gly Ala Ile
Tyr Gly Ala Leu
Tyr Gly Ile Ala
Tyr Gly Leu Ala
Tyr Ile Ala Gly
Tyr Ile Gly Ala
Tyr Leu Ala Gly
Tyr Leu Gly Ala
Tyr Val Ala Ala
1-Octen-3-yl primeveroside
Kanzonol J
8-[4-(1,4-BENZODIOXAN-2-YLMETHYLAMINO)BUTYL]-8-AZASPIRO[4.5]DECANE-7,9-DIONE HYDROCHLORIDE
C22H31ClN2O4 (422.19722360000003)
AIDS-096029
N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
4-[[(3S)-4-[[4-[[(3S)-4-amino-3-hydroxybutyl]-hydroxyamino]-4-oxobutanoyl]amino]-3-hydroxybutyl]-hydroxyamino]-4-oxobutanoic acid
(2S,3S,6R)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Cytovirin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors
Blasticidin S
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors
Phe-Trp-Ala
C23H26N4O4 (422.19539560000004)
A tripeptide composed of L-phenylalanine, L-tryptophan, and L-alanine joined by peptide linkages.
(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid
(2R*,3R*)-3-{[(2S)-1-({3-[(4-aminobutyl)amino]propyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid
2-hydroxy-N-(2-methyl-4-oxoquinazolin-3-yl)-1-(2-methylpropyl)-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
C23H26N4O4 (422.19539560000004)
4-[[anilino-(4-methylphenyl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
1-[4-[3-Methyl-4-(3-methylphenyl)-1-piperazinyl]-3-nitrophenyl]piperidine-2,6-dione
C23H26N4O4 (422.19539560000004)
1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-piperidinecarboxamide
C22H26N6O3 (422.20662860000004)
4-Amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester
C20H30N4O4S (422.19876600000003)
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide
N-[1-(phenylmethyl)-4-piperidinyl]-2-(2-pyridinyl)-4-quinolinecarboxamide
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triol
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(1S,9R,10R,11R)-10-(hydroxymethyl)-11-(piperidine-1-carbonyl)-12-(pyridine-2-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C23H26N4O4 (422.19539560000004)
(2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H34N2O4S (422.22391640000006)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
C23H26N4O4 (422.19539560000004)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
C23H26N4O4 (422.19539560000004)
(1R,9S,10S,11S)-10-(hydroxymethyl)-11-(piperidine-1-carbonyl)-12-(pyridine-2-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C23H26N4O4 (422.19539560000004)
(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H34N2O4S (422.22391640000006)
(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C22H34N2O4S (422.22391640000006)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
C20H30N4O4S (422.19876600000003)
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
C23H26N4O4 (422.19539560000004)
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
C23H26N4O4 (422.19539560000004)
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-methoxyphenyl)methanone
N-[4-[5-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexanoate
[2-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] pentanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] heptanoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-tetradec-9-enoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-tridec-9-enoate
Fludrocortisone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
1,2-Dioctanoyl-sn-glycero-3-phosphate(2-)
A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3.
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate
TMC-52A
An epoxide which is a carboxamide obtained by the formal condensation of one of the carboxy groups of oxirane-2,3-dicarboxylic acid with N-{3-[(4-aminobutyl)amino]propyl}-L-tyrosinamide. It is a natural product, isolated from Gliocladium sp. F-2665. TMC-52A acts as an inhibitor of cysteine proteinases, particularly cathepsin B (EC 3.4.22.1), cathepsin L (EC 3.4.22.15), and papain (EC 3.4.22.2); IC50 values are 320 nM, 13 nM, and 44 nM, respectively. The epoxide group has trans configuration but its exact stereochemistry is uncertain: it is either (2R,3R) or (2S,3S).
TMC-52B
An epoxide which is a carboxamide obtained by the formal condensation of one of the carboxy groups of oxirane-2,3-dicarboxylic acid with N-{4-[(3-aminopropyl)amino]butyl}-L-tyrosinamide. It is a natural product, isolated from Gliocladium sp. F-2665. TMC-52B acts as an inhibitor of cysteine proteinases, particularly cathepsin B (EC 3.4.22.1), cathepsin L (EC 3.4.22.15), and papain (EC 3.4.22.2); IC50 values are 200 nM, 10 nM, and 7 nM, respectively. The epoxide group has trans configuration but its exact stereochemistry is uncertain: it is either (2R,3R) or (2S,3S).
KT109
KT109 is a potent and an isoform-selective inhibitor of?diacylglycerol lipase-β (DAGLβ) with an IC50 of 42 nM. KT109 has ~60-fold selectivity for DAGLβ over DAGLα. KT109 shows inhibitory activity against PLA2G7 (IC50=1 μM). KT109 shows negligible activity against FAAH, MGLL, ABHD11, and cytosolic phospholipase A2 (cPLA2 or PLA2G4A). KT109 perturbs a lipid network involved in macrophage inflammatory responses and lowers 2-arachidonoylglycerol (2-AG), arachidonic acid and eicosanoids in mouse peritoneal macrophages[1].
(1s,10s)-3-methoxy-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,10-diol
(1r,2r,4r,7s,10s,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(3r)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2r,3r,4s,5s,6r)-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-3-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2e)-n-(2-hydroxy-1-{[(3e,8s,10r)-2,7,10-trihydroxy-5-methyl-1,6-diazacyclododeca-1,3,6-trien-8-yl]-c-hydroxycarbonimidoyl}propyl)penta-2,4-dienimidic acid
(1's,3s,3'r,4'r,8'r,9'z,11's,13's)-11',13'-dihydroxy-1',10'-dimethyl-6'-oxo-4,5-dihydro-7',14'-dioxaspiro[pyrazole-3,5'-tricyclo[9.2.1.0⁴,⁸]tetradecan]-9'-en-3'-yl (2r)-2-methylbutanoate
(2s)-2-{[(2r)-2-{[(2r)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid
C23H26N4O4 (422.19539560000004)
8-[(6r)-9-methoxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]-2,2-dimethylchromen-5-ol
(2s,3s,6r)-3-{[(3s)-3-carbamimidamido-1-hydroxy-5-(methylamino)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
3-methoxy-6-[(3r,8r)-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
1-[2,4-dihydroxy-3-(5-methoxy-3,7-dimethylocta-2,6-dien-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
3-{[3-amino-1-hydroxy-5-(n-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
1-[2-hydroxy-5-(1-{1-[4-hydroxy-3-(3-methylbut-2-enoyl)phenyl]ethoxy}ethyl)phenyl]-3-methylbut-2-en-1-one
(2e)-1-[(1r,9s,10r,13s)-5,10-dihydroxy-13-isopropyl-3-methoxy-10-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5-trien-6-yl]-3-phenylprop-2-en-1-one
(1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
methyl 7-{4-ethenyl-4,6-dimethyl-5-oxo-2h,3h-pyrano[2,3-b]chromen-2-yl}-2,6-dimethylhepta-2,6-dienoate
1-{5,10-dihydroxy-13-isopropyl-3-methoxy-10-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5-trien-6-yl}-3-phenylprop-2-en-1-one
7-hydroxy-2-(2-hydroxyphenyl)-5-methoxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
6-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}propanoic acid
C23H26N4O4 (422.19539560000004)
(5 ar,6r,9r,9 ar)-4-cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9a-hexahydro-dibenzofuran
{"Ingredient_id": "HBIN011443","Ingredient_name": "(5 ar,6r,9r,9 ar)-4-cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9a-hexahydro-dibenzofuran","Alias": "(5ar,6r,9r,9ar)-4-cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9a-hexahydro-dibenzofuran","Ingredient_formula": "C26H30O5","Ingredient_Smile": "CC(C)C1CCC(C2C1C3=C(C=C(C(=C3O2)C(=O)C=CC4=CC=CC=C4)O)OC)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3702;30785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r,4s,5s,6r)-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
3-methoxy-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,10-diol
5,7-dihydroxy-3-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
3-{[1-({4-[(3-aminopropyl)amino]butyl}-c-hydroxycarbonimidoyl)-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid
1-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propane-1,3-dione
(2s,3s,6r)-3-{[(3s)-3-amino-1-hydroxy-5-(n-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
1-[2,4-dihydroxy-6-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
3-{[3-carbamimidamido-1-hydroxy-5-(methylamino)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
3-methoxy-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
(2s)-7-hydroxy-2-{3-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl}-2,3-dihydro-1-benzopyran-4-one
(2s)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(1r,2r,4r,6s,7s,10r,11s)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(2r,3s,4s,5r,6r)-2-({[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3r)-oct-1-en-3-yloxy]oxane-3,4,5-triol
1-[(1r,9s,10r,13s)-5,10-dihydroxy-13-isopropyl-3-methoxy-10-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5-trien-6-yl]-3-phenylprop-2-en-1-one
(3r)-7-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzopyran-4-one
3-{[1-({3-[(4-aminobutyl)amino]propyl}-c-hydroxycarbonimidoyl)-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid
(2s,3s,6r)-3-{[3-amino-1-hydroxy-5-(n-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
(2z,6e)-2,6-dimethyl-9-[(2r)-2-methyl-5-oxopyrano[3,2-c]chromen-2-yl]nona-2,6-dien-1-yl acetate
(2s)-6-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2s)-7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
3-{[(1s)-1-({3-[(4-aminobutyl)amino]propyl}-c-hydroxycarbonimidoyl)-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid
(1r,2r,4r,6r,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(2r,3s,4r,5r,7r)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraen-2-ol
(2e,6e)-2,6-dimethyl-9-[(2r)-2-methyl-5-oxopyrano[3,2-c]chromen-2-yl]nona-2,6-dien-1-yl acetate
(2e)-1-[(1s,9r,10r,13r)-5,10-dihydroxy-13-isopropyl-3-methoxy-10-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5-trien-6-yl]-3-phenylprop-2-en-1-one
8-hydroxy-7-[3-(4-hydroxyphenyl)propanoyl]-2,2,5-trimethyl-5-(3-methylbut-2-en-1-yl)chromen-6-one
(3s)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2s)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(2e)-1-{2,4-dihydroxy-3-[(2e,5s)-5-methoxy-3,7-dimethylocta-2,6-dien-1-yl]phenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
(2e)-1-[(1s,9r,10r,13s)-5,10-dihydroxy-3-methoxy-10-methyl-13-propyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6-trien-6-yl]-3-phenylprop-2-en-1-one
(3s,6s)-5-hydroxy-6-[(4-methoxyphenyl)methyl]-1-methyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dihydropyrazin-2-one
(8r)-5-hydroxy-6-[3-(4-hydroxyphenyl)propanoyl]-2,2,8-trimethyl-8-(3-methylbut-2-en-1-yl)chromen-7-one
(2r)-7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2r,4r,6s,7s,10r,11s)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
2-[3-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxyphenyl]-5,7-dihydroxy-6-methyl-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-3-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
14-methoxy-6,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-5,10-diol
6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
3-methoxy-6-[(3s)-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
methyl 2,4-dihydroxy-3-(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)-6-(2-phenylethenyl)benzoate
6-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxypropylidene}amino)-3-(1h-indol-3-yl)propanoic acid
C23H26N4O4 (422.19539560000004)
4-[6-(4-hydroxyphenyl)-3-methyl-2-(3-methylbut-2-en-1-yl)cyclohex-3-ene-1-carbonyl]-5-methoxybenzene-1,3-diol
(2r,3r,4s,5s,6r)-2-(oct-1-en-3-yloxy)-6-({[(3s,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
5-hydroxy-6-[(4-methoxyphenyl)methyl]-1-methyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,6-dihydropyrazin-2-one
3-({1-[(4-aminobutyl)(3-aminopropyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}-c-hydroxycarbonimidoyl)oxirane-2-carboxylic acid
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(oct-1-en-3-yloxy)oxane-3,4,5-triol
methyl 2,4-dihydroxy-3-[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]-6-[(1e)-2-phenylethenyl]benzoate
4-[(1r,2s,6r)-6-(4-hydroxyphenyl)-3-methyl-2-(3-methylbut-2-en-1-yl)cyclohex-3-ene-1-carbonyl]-5-methoxybenzene-1,3-diol
n-{[(2r,3s,4s,5r,6s)-6-(tert-butoxy)-3,4,5-trihydroxyoxan-2-yl]methyl}-n'-(2-chloroethyl)-n-cyclohexylcarbamimidic acid
C19H35ClN2O6 (422.21835200000004)