Exact Mass: 364.12052000000006
Exact Mass Matches: 364.12052000000006
Found 500 metabolites which its exact mass value is equals to given mass value 364.12052000000006,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
10-HCPT
10-Hydroxycamptothecin is a pyranoindolizinoquinoline. 10-hydroxycamptothecin is under investigation in clinical trial NCT00956787 (Study of AR-67 (DB-67) in Myelodysplastic Syndrome (MDS)). 10-Hydroxycamptothecin is a natural product found in Nothapodytes nimmoniana, Camptotheca acuminata, and Fusarium solani with data available. D000970 - Antineoplastic Agents (S)-10-Hydroxycamptothecin (10-HCPT;10-Hydroxycamptothecin) is a DNA topoisomerase I inhibitor of isolated from the Chinese plant Camptotheca accuminata. (S)-10-Hydroxycamptothecin exhibits a remarkable apoptosis-inducing effect. (S)-10-Hydroxycamptothecin has the potential for hepatoma, gastric carcinoma, colon cancer and leukaemia treatment[1][2][3][4]. (S)-10-Hydroxycamptothecin (10-HCPT;10-Hydroxycamptothecin) is a DNA topoisomerase I inhibitor of isolated from the Chinese plant Camptotheca accuminata. (S)-10-Hydroxycamptothecin exhibits a remarkable apoptosis-inducing effect. (S)-10-Hydroxycamptothecin has the potential for hepatoma, gastric carcinoma, colon cancer and leukaemia treatment[1][2][3][4].
justicidins
Justicidin B is a lignan. Justicidin B is a natural product found in Haplophyllum bucharicum, Haplophyllum cappadocicum, and other organisms with data available.
Pyridaben
CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10598; ORIGINAL_PRECURSOR_SCAN_NO 10596 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10636; ORIGINAL_PRECURSOR_SCAN_NO 10634 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10544 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10660; ORIGINAL_PRECURSOR_SCAN_NO 10659 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10708; ORIGINAL_PRECURSOR_SCAN_NO 10707 CONFIDENCE standard compound; INTERNAL_ID 331; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10670; ORIGINAL_PRECURSOR_SCAN_NO 10667 CONFIDENCE standard compound; INTERNAL_ID 2632
Gibberellin A8
A C19-gibberellin, initially identified in Phaseolus coccineus. It differs from gibberellin A1 in the presence of an extra beta-OH group at C-3 (gibbane numbering).
N-Acetylmuramoyl-Ala
This compound belongs to the family of N-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.
Desacetyl-alacepril
C18H24N2O4S (364.14567040000003)
bumetanide
C17H20N2O5S (364.10928700000005)
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators KEIO_ID B093; [MS2] KO009094 KEIO_ID B093; [MS3] KO009095 KEIO_ID B093
3-(4-{[5-Fluoro-2-(4-methylphenyl)phenyl]methoxy}phenyl)propanoic acid
C23H21FO3 (364.14746479999997)
Bumetanide
C17H20N2O5S (364.10928700000005)
Bumetanide is only found in individuals that have used or taken this drug. It is a sulfamyl diuretic.Bumetanide interferes with renal cAMP and/or inhibits the sodium-potassium ATPase pump. Bumetanide appears to block the active reabsorption of chloride and possibly sodium in the ascending loop of Henle, altering electrolyte transfer in the proximal tubule. This results in excretion of sodium, chloride, and water and, hence, diuresis. D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
Gibberellin A91
Gibberellin A91 (GA91) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A91 is found in cereals and cereal products. Gibberellin A91 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A91 is found in many foods, some of which are wheat, common pea, cereals and cereal products, and common wheat.
Gibberellin A49
Gibberellin A49 (GA49) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A49 is found in fruits. Gibberellin A49 is from the seeds of Cucurbita pepo. Isolated from seeds of Cucurbita pepo. Gibberellin A49 is found in many foods, some of which are strawberry, winter squash, fruits, and japanese pumpkin.
(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan
(7R*,8R*)-3-Methoxy-3,4,7,9,9-pentahydroxy-8,4-oxyneolignan is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Gibberellin A79
Gibberellin A79 (GA79) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A79 is found in cereals and cereal products. Gibberellin A79 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A79 is found in wheat, cereals and cereal products, and common wheat.
Gibberellin A50
Gibberellin A50 (GA50) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A50 is found in calabash. Gibberellin A50 is a constituent of immature seeds of bottle gourd (Lagenaria leucantha). Constituent of immature seeds of bottle gourd (Lagenaria leucantha). Gibberellin A50 is found in calabash, loquat, and green vegetables.
Gerberinol
Gerberinol is found in fruits. Gerberinol is a constituent of Diospyros kaki (Japanese persimmon). Constituent of Diospyros kaki (Japanese persimmon). Gerberinol is found in fruits.
Gibberellin A72
Gibberellin A72 (GA72) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A72 is found in fats and oils. Gibberellin A72 is isolated from Helianthus annuus (sunflower). Isolated from seeds of Helianthus annuus (sunflower). Gibberellin A72 is found in sunflower and fats and oils.
Gibberellin A76
Gibberellin A76 (GA76) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A76 is found in sunflower. Gibberellin A76 is a constituent of sunflower seeds Helianthus annuus. Constituent of sunflower seeds Helianthus annuus. Gibberellin A76 is found in sunflower.
Gibberellin A55
Gibberellin A55 (GA55) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A55 is found in common wheat. Gibberellin A55 is a constituent of Curcurbita maxima. Constituent of Curcurbita maxima. Gibberellin A55 is found in papaya, fruits, and common wheat.
hydroxytorsemide
C16H20N4O4S (364.12052000000006)
hydroxytorsemide is a metabolite of torasemide. Torasemide or torsemide is a pyridine-sulfonyl urea type loop diuretic mainly used in the management of edema associated with congestive heart failure. It is also used at low doses for the management of hypertension. It is marketed under the brand name Demadex and Diuver. Compared to other loop diuretics, torasemide has a more prolonged diuretic effect than equipotent doses of furosemide and relatively decreased potassium-loss. (Wikipedia)
(1R,4Ar,5S,7R)-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
C15H24O10 (364.13694039999996)
10-Hydroxycamptothecin
N-Hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)acetamide
C17H20N2O5S (364.10928700000005)
Clofoctol
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C52588 - Antibacterial Agent Clofoctol is a bacteriostatic antibiotic. Clofoctol is used in the treatment of respiratory tract and ear, nose and throat infections caused by Gram-positive bacteria. Clofoctol is only functional against Gram-positive bacteria and can penetrate into human lung tissue. Clofoctol is also an inhibitor of prostate cancer. Clofoctol has antiviral potency[1][2][3].
Desacetyl-alacepril
C18H24N2O4S (364.14567040000003)
Diaziquone
N'-[2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
(E)-1-(4-((6-Amino-5-((methoxyimino)methyl)pyrimidin-4-yl)oxy)-2-chlorophenyl)-3-ethylurea
Lykurim
C10H24N2O8S2 (364.09740239999996)
D000970 - Antineoplastic Agents
N-acetylmuramoyl-L-alanine
n-acetylmuramyl-l-alanine
Pheneticillin
C17H20N2O5S (364.10928700000005)
N-[(Furan-2-yl)methyl]-2-(N-methyl-2-phenoxyacetamido)benzamide
C21H20N2O4 (364.14230000000003)
TUG-891
C23H21FO3 (364.14746479999997)
Gibberellin A8
Gibberellin a8 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a8 is soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a8 can be found in a number of food items such as horseradish tree, teff, sweet marjoram, and chinese chives, which makes gibberellin a8 a potential biomarker for the consumption of these food products.
Gibberellin A85
Gibberellin a85 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a85 is soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a85 can be found in japanese pumpkin, sweet cherry, turnip, and winter squash, which makes gibberellin a85 a potential biomarker for the consumption of these food products.
Ajugol
C15H24O10 (364.13694039999996)
Harpagide is a natural product found in Scrophularia leucoclada, Scrophularia variegata, and other organisms with data available. See also: Harpagophytum zeyheri root (part of). Harpagide is a class of iridoid glycoside isolated from Scrophularia ningpoensis and has antiparasitic activity, which exhibits good in vitro trypanocidal activities against African trypanosomes (T.b. rhodesiense) with an IC50 of 21 μg/mL. Harpagide exerts significant antileishmanial activity against L. donovani with an IC50 value of 2.0 μg/mL. Harpagide also possess significant anti-inflammatory activities[1][2]. Harpagide is a class of iridoid glycoside isolated from Scrophularia ningpoensis and has antiparasitic activity, which exhibits good in vitro trypanocidal activities against African trypanosomes (T.b. rhodesiense) with an IC50 of 21 μg/mL. Harpagide exerts significant antileishmanial activity against L. donovani with an IC50 value of 2.0 μg/mL. Harpagide also possess significant anti-inflammatory activities[1][2].
harpagide
C15H24O10 (364.13694039999996)
Origin: Plant; SubCategory_DNP: Monoterpenoids, Harpagide monoterpenoids Harpagide is a class of iridoid glycoside isolated from Scrophularia ningpoensis and has antiparasitic activity, which exhibits good in vitro trypanocidal activities against African trypanosomes (T.b. rhodesiense) with an IC50 of 21 μg/mL. Harpagide exerts significant antileishmanial activity against L. donovani with an IC50 value of 2.0 μg/mL. Harpagide also possess significant anti-inflammatory activities[1][2]. Harpagide is a class of iridoid glycoside isolated from Scrophularia ningpoensis and has antiparasitic activity, which exhibits good in vitro trypanocidal activities against African trypanosomes (T.b. rhodesiense) with an IC50 of 21 μg/mL. Harpagide exerts significant antileishmanial activity against L. donovani with an IC50 value of 2.0 μg/mL. Harpagide also possess significant anti-inflammatory activities[1][2].
Eudesmaafraglaucolide
1lapha-Hydroxyafraglaucolide
1alpha-Hydroxyisoafraglaucolide
Nagilactone B
Nagilactone B is a natural product found in Afrocarpus gracilior, Nageia nagi, and Podocarpus macrophyllus with data available.
LL-Z 1640-1
Carpachromene dimethyl ether
3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
1beta-Hydroxyafraglaucolide
3,6-Dimethoxy-6,6-dimethylpyrano[2,3:7,8]flavone
5-Hydroxy-3,4-methylenedioxy-6,6-dimethylpyrano[2,3:7,8]isoflavone
Isoglycirol
robustone
(3aR,4S,6R,11aR)-6,9-Dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,6,7,8,9,11a-decahydrocyclodeca[b]furan-4-yl methacrylate
3-Methoxy-4-[(2-hydroperoxy-7-methyl-3-methylene-5-oxo-6-octenyl)oxy]benzoic acid methyl ester
18-bromooctadeca-5,7,17-triynoic acid methyl ester
C19H25BrO2 (364.10378099999997)
5,6,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
10-Desacetoxy-9beta-hydroxyglaucolid A|8-desacylmarginatin 8-O-acetate
2alpha,6alpha-Diacetoxy-4alpha,5beta-epoxygermacra-1(10)E,11(13)-dien-8alpha,12-olide
9alpha,15-dihydroxy-8beta-isobutyryloxy-14-oxo-melampolide
1,3-Bis-(1-semicarbazono-2-carboxy-aethyl)-benzol|3,3-Disemicarbazono-3,3-m-phenylen-di-propionsaeure|3,3-disemicarbazono-3,3-m-phenylene-di-propionic acid
5-Hydroxy-7-(3-formyl-4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
(-)-(5R,6S)-5-carbamoyl-5-beta-D-glucopyranosyloxy-6-hydroxy-4-methoxy-1-methyl-5,6-dihydro-2-pyridone|acalyphin amide
C13H20N2O10 (364.11179000000004)
8alpha,13-diacetoxy-1beta-hydroxyeudesma-4(15),7(13)-dien-6alpha,12-olide
(8S)-(-)-7,8-Dihydro-8-hydroxyaucubin|5,7-bisdeoxy-cynanchoside|5,7-bisdeoxycynanchoside
C15H24O10 (364.13694039999996)
(+)-linoxepin|(8aR)-12-methoxy-8a,14-dihydro-8H-[1,3]dioxolo[4,5-i]furo[3,4:6,7]naphtha[1,8-cd][2]benzoxepin-6(9H)-one|(R)-6-methoxy-9a,10-dihydro-4H-[1,3]dioxolo[4,5:3,4]benzo[1,2-e]furo[3,4:6,7]naphtho[1,8-bc]oxepin-12(9H)-one|linoxepin
C1=CC(O)=C2C(OC)C(OC)C3C4=CC=C(O)C(C(=O)CC5)=C4C5=C3C2=C1
3-ethoxy-1,4,9-trihydroxy-1,2,3,6b-tetrahydrobenzo[j]fluoranthen-8(7H)-one|hypoxylonol A
methyl ester of 18-bromooctadeca-5,7,17-triynoic acid
C19H25BrO2 (364.10378099999997)
Me ether-(15Z,17E)-18-Bromo-15,17-octadecadiene-5,7-diynoic acid|Methyl 18-Bromo-(15Z,17E)-octadeca-15,17-diene-5,7-diynoate
C19H25BrO2 (364.10378099999997)
2-{6-[3,4-(methylenedioxy)phenyl]-4-oxotetracyclo[5.4.2.0(3,13).0(10,12)]-trideca-5,8-dien-11-yl}acetic acid|5-(1,3-benzodioxol-5-yl)-1a,2,2a3,5a,7a,7b,7c-octahydro-3-oxo-1H-cyclobut[bc]acenaphthylene-1-acetic acid|beilschmiedic acid F
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 1,4-diacetate
(Z)-methyl 7-{(cinnamoyloxy)methyl}-3,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate|decurrenside C
(3S,4R)-4,7,1?4-tetrahydroxy-6,2,3-trimethoxyisoflavan|abruquinone K
(1S,3R,5R,7S,8S,9S)-1,3-diethoxy-5,8-dihydroxyvalechlorine|chlorovaltrate D
4,5,7-trihydroxy-6-isopentene-2-styrylchromone|platachromone A
4,5,7-trihydroxy-8-isopentene-2-styrylchromone|platachromone B
(5S)-5-(8-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octa-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|3,4-dihydrovernoniyne-8-O-beta-glucoside
3-hydroxy-2-prenyl-8,9-methylenedioxybenzo[4,5]furo[3,2-c]chromen-6-one|buteaspermin A
4-O-demethylhypothemycin|4-O-desmethylhypothemycin
4-Ethyl-4,12-dihydroxy-1H-pyrano(3,4:6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione
2-Phenyl-7-methoxy-8-(4-oxo-5,5-dimethyl-4,5-dihydrofuran-3-yl)-2,3-dihydro-4H-1-benzopyran-4-one
Pheneticillin;alpha-Phenoxyethylpenicillin
C17H20N2O5S (364.10928700000005)
clofoctol
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C254 - Anti-Infective Agent > C52588 - Antibacterial Agent Clofoctol is a bacteriostatic antibiotic. Clofoctol is used in the treatment of respiratory tract and ear, nose and throat infections caused by Gram-positive bacteria. Clofoctol is only functional against Gram-positive bacteria and can penetrate into human lung tissue. Clofoctol is also an inhibitor of prostate cancer. Clofoctol has antiviral potency[1][2][3].
Hydroxy camptothecine
D000970 - Antineoplastic Agents (±)-10-Hydroxycamptothecin is an indole alkaloid that inhibits the activity of topoisomerase I and has a broad spectrum of anticancer activity. (±)-10-Hydroxycamptothecin is an indole alkaloid that inhibits the activity of topoisomerase I and has a broad spectrum of anticancer activity.
Justicidin B
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.212 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.209
10-Hydroxycamptothecin
SubCategory_DNP: : Alkaloids derived from anthranilic acid, Quinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.944 D000970 - Antineoplastic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.947 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.929 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.928 (S)-10-Hydroxycamptothecin (10-HCPT;10-Hydroxycamptothecin) is a DNA topoisomerase I inhibitor of isolated from the Chinese plant Camptotheca accuminata. (S)-10-Hydroxycamptothecin exhibits a remarkable apoptosis-inducing effect. (S)-10-Hydroxycamptothecin has the potential for hepatoma, gastric carcinoma, colon cancer and leukaemia treatment[1][2][3][4]. (S)-10-Hydroxycamptothecin (10-HCPT;10-Hydroxycamptothecin) is a DNA topoisomerase I inhibitor of isolated from the Chinese plant Camptotheca accuminata. (S)-10-Hydroxycamptothecin exhibits a remarkable apoptosis-inducing effect. (S)-10-Hydroxycamptothecin has the potential for hepatoma, gastric carcinoma, colon cancer and leukaemia treatment[1][2][3][4].
3-methoxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]benzoic acid
methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
C15H24O10_4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside
C15H24O10 (364.13694039999996)
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
C15H24O10 (364.13694039999996)
methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate [IIN-based on: CCMSLIB00000848761]
methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate [IIN-based: Match]
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol_major
C15H24O10 (364.13694039999996)
7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol_57.3\\%
C15H24O10 (364.13694039999996)
Ala Ala Cys Thr
Ala Ala Thr Cys
Ala Cys Ala Thr
Ala Cys Asp Gly
C12H20N4O7S (364.10526500000003)
Ala Cys Gly Asp
C12H20N4O7S (364.10526500000003)
Ala Cys Thr Ala
Ala Asp Cys Gly
C12H20N4O7S (364.10526500000003)
Ala Asp Gly Cys
C12H20N4O7S (364.10526500000003)
Ala Gly Cys Asp
C12H20N4O7S (364.10526500000003)
Ala Gly Asp Cys
C12H20N4O7S (364.10526500000003)
Ala Gly Met Ser
Ala Gly Ser Met
Ala Met Gly Ser
Ala Met Ser Gly
Ala Ser Gly Met
Ala Ser Met Gly
Ala Thr Ala Cys
Ala Thr Cys Ala
Cys Ala Ala Thr
Cys Ala Asp Gly
C12H20N4O7S (364.10526500000003)
Cys Ala Gly Asp
C12H20N4O7S (364.10526500000003)
Cys Ala Thr Ala
Cys Asp Ala Gly
C12H20N4O7S (364.10526500000003)
Cys Asp Gly Ala
C12H20N4O7S (364.10526500000003)
Cys Glu Gly Gly
C12H20N4O7S (364.10526500000003)
Cys Gly Ala Asp
C12H20N4O7S (364.10526500000003)
Cys Gly Asp Ala
C12H20N4O7S (364.10526500000003)
Cys Gly Glu Gly
C12H20N4O7S (364.10526500000003)
Cys Gly Gly Glu
C12H20N4O7S (364.10526500000003)
Cys Gly Ser Val
Cys Gly Val Ser
Cys Ser Gly Val
Cys Ser Val Gly
Cys Thr Ala Ala
Cys Val Gly Ser
Cys Val Ser Gly
Asp Ala Cys Gly
C12H20N4O7S (364.10526500000003)
Asp Ala Gly Cys
C12H20N4O7S (364.10526500000003)
Asp Cys Ala Gly
C12H20N4O7S (364.10526500000003)
Asp Cys Gly Ala
C12H20N4O7S (364.10526500000003)
Asp Gly Ala Cys
C12H20N4O7S (364.10526500000003)
Asp Gly Cys Ala
C12H20N4O7S (364.10526500000003)
Asp Gly Ser Ser
Asp Ser Gly Ser
Asp Ser Ser Gly
Glu Cys Gly Gly
C12H20N4O7S (364.10526500000003)
Glu Gly Cys Gly
C12H20N4O7S (364.10526500000003)
Glu Gly Gly Cys
C12H20N4O7S (364.10526500000003)
Gly Ala Cys Asp
C12H20N4O7S (364.10526500000003)
Gly Ala Asp Cys
C12H20N4O7S (364.10526500000003)
Gly Ala Met Ser
Gly Ala Ser Met
Gly Cys Ala Asp
C12H20N4O7S (364.10526500000003)
Gly Cys Asp Ala
C12H20N4O7S (364.10526500000003)
Gly Cys Glu Gly
C12H20N4O7S (364.10526500000003)
Gly Cys Gly Glu
C12H20N4O7S (364.10526500000003)
Gly Cys Ser Val
Gly Cys Val Ser
Gly Asp Ala Cys
C12H20N4O7S (364.10526500000003)
Gly Asp Cys Ala
C12H20N4O7S (364.10526500000003)
Gly Asp Ser Ser
Gly Glu Cys Gly
C12H20N4O7S (364.10526500000003)
Gly Glu Gly Cys
C12H20N4O7S (364.10526500000003)
Gly Gly Cys Glu
C12H20N4O7S (364.10526500000003)
Gly Gly Glu Cys
C12H20N4O7S (364.10526500000003)
Gly Gly Met Thr
Gly Gly Thr Met
Gly Met Ala Ser
Gly Met Gly Thr
Gly Met Ser Ala
Gly Met Thr Gly
Gly Ser Ala Met
Gly Ser Cys Val
Gly Ser Asp Ser
Gly Ser Met Ala
Gly Ser Ser Asp
Gly Ser Val Cys
Gly Thr Gly Met
Gly Thr Met Gly
Gly Val Cys Ser
Gly Val Ser Cys
Met Ala Gly Ser
Met Ala Ser Gly
Met Gly Ala Ser
Met Gly Gly Thr
Met Gly Ser Ala
Met Gly Thr Gly
Met Ser Ala Gly
Met Ser Gly Ala
Met Thr Gly Gly
Ser Ala Gly Met
Ser Ala Met Gly
Ser Cys Gly Val
Ser Cys Val Gly
Ser Asp Gly Ser
Ser Asp Ser Gly
Ser Gly Ala Met
Ser Gly Cys Val
Ser Gly Asp Ser
Ser Gly Met Ala
Ser Gly Ser Asp
Ser Gly Val Cys
Ser Met Ala Gly
Ser Met Gly Ala
Ser Ser Asp Gly
Ser Ser Gly Asp
Ser Val Cys Gly
Ser Val Gly Cys
Thr Ala Ala Cys
Thr Ala Cys Ala
Thr Cys Ala Ala
Thr Gly Gly Met
Thr Gly Met Gly
Thr Met Gly Gly
Val Cys Gly Ser
Val Cys Ser Gly
Val Gly Cys Ser
Val Gly Ser Cys
Val Ser Cys Gly
Val Ser Gly Cys
PHENETHICILLIN
C17H20N2O5S (364.10928700000005)
A penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group.
ARP-100
C17H20N2O5S (364.10928700000005)
Methyl 18-bromo-15E,17E-octadecadien-5,7-diynoate
C19H25BrO2 (364.10378099999997)
4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl ?-D-glucopyranoside
C15H24O10 (364.13694039999996)
Pyrimido[4,5-g]quinazoline-4,9-dione,2-(chloromethyl)-3,8-dihydro-5,10-dimethoxy-3,7,8-trimethyl-
2,3-DIPHENYL-5-(4-METHOXYPHENYL)TETRAZOLIUM CHLORIDE
zidometacin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
2,2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bisethanol
ethyl 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylate
C17H20N2O5S (364.10928700000005)
5-{[1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl}-2-py ridinamine
2,2,2,2-(trans-Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid hydrate
Potassium 4-dodecylbenzenesulfonate
C18H29KO3S (364.14743840000006)
CDPPB
CDPPB is a potent, selective and brain penetrant positive allosteric modulator of the metabotropic glutamate receptor subtype 5 (mGluR5), with an EC50 of 27 nM in Chinese hamster ovary cells expressing human mGluR5. CDPPB may provide an approach for development of antipsychotic agents[1].
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(4-octylphenoxy)-, sodium salt
5-fluoro-o4-(2,4,6-trimethylphenyl)-2-deoxyuridine
5,6-DI(FURAN-2-YL)-3-PHENYL-[2,2]BIPYRIDINYL
C24H16N2O2 (364.12117159999997)
pheneticillin
C17H20N2O5S (364.10928700000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CE - Beta-lactamase sensitive penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene,oxepan-2-one
C21H20N2O4 (364.14230000000003)
Diaziquone
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
3,14-Dioxa-2,15-dithia-6,11-diazahexadecane-8,9-diol,2,2,15,15-tetraoxide, (8R,9S)-rel-
C10H24N2O8S2 (364.09740239999996)
Levomepromazine hydrochloride
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine
trans-1,2-Cyclohexylenedinitrotetraacetic acid hydrate
1-(2,4-bis-(Benzyloxy)-3,6-dihydroxyphenyl)ethanone
Tiapride hydrochloride
C15H25ClN2O4S (364.12234800000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Tiapride hydrochloride is a selective and orally active D2 and D3 dopamine receptors antagonist with IC50 values of 110-320 nM and 180 nM, respectively. Tiapride hydrochloride shows anti-dyskinetic activity and anxiolytic activity. Tiapride hydrochloride is a neuroleptic agent[1][2].
3,3-Diphenylalanine Hydrochloride
C18H21ClN2O4 (364.11897760000005)
5-(1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester dihydrochloride hydrate
C15H18N2O3.2(HCl).H2O (364.0956552)
[(1S,2S,6R)-5,6-diacetyloxy-1,2-dihydroxy-1-cyclohex-3-enyl]methyl ben zoate
Apararenone
C17H17FN2O4S (364.08930140000007)
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal
N-Acetyl-α-cyano-p-benzoyl-D,L-phenylalanine, Ethyl Ester
C21H20N2O4 (364.14230000000003)
ethyl 2-[3-(1H-benzimidazol-2-yl)-2-oxochromen-7-yl]oxyacetate
5-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-6-YL)-pentanoic acid (4-nitro-phenyl)-amide
C16H20N4O4S (364.12052000000006)
(E)-1-(4-((6-Amino-5-((methoxyimino)methyl)pyrimidin-4-yl)oxy)-2-chlorophenyl)-3-ethylurea
N-(2-(3,5-difluorophenyl)-2-hydroxyacetyl)-2-ethyl-4-hydroxy-3-methylbenzohydrazide
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl](1-benzofuran-2-yl)methanone
C21H20N2O4 (364.14230000000003)
(E)-[4-(3,5-Difluorophenyl)-3h-Pyrrolo[2,3-B]pyridin-3-Ylidene](3-Methoxyphenyl)methanol
C21H14F2N2O2 (364.10232879999995)
Cyclopropanamine, 2-phenyl-, trans-(+-)-, sulfate (2:1)
C18H24N2O4S (364.14567040000003)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
(S)-2-[(S)-1-((S)-3-Mercapto-2-methylpropanoyl)pyrrolidine-2-carboxamido]-3-phenylpropanoic Acid
C18H24N2O4S (364.14567040000003)
7,8-Dimethoxy-9-(1,3-benzodioxole-5-yl)naphtho[2,3-c]furan-1(3H)-one
N-acetyl-alpha-D-muramoyl-L-alanine
A glyco-amino acid compound consisting of an N-acetyl-alpha-D-muramoyl group attached to L-alanine via an amide linkage.
2-[Acetyl-[3-amino-4-(1-carboxyethoxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]amino]propanoic acid
Tranylcypromine sulfate
C18H24N2O4S (364.14567040000003)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide
C18H21ClN2O2S (364.10121960000004)
2-[[(3-Methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
C21H20N2O4 (364.14230000000003)
2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
C16H20N4O4S (364.12052000000006)
1-[N-(4,7-dimethylquinazolin-2-yl)carbamimidoyl]-3-(3-methylphenyl)thiourea
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone
3,5-Dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide
C21H20N2O4 (364.14230000000003)
N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
2-(methanesulfonamido)-N-[2-(phenylmethylthio)ethyl]benzamide
3-ethyl-2-{[(4-hydroxy-2-quinazolinyl)methyl]thio}-4(3H)-quinazolinone
3-(Benzenesulfonyl)-1-cyclopropyl-2-pyrrolo[3,2-b]quinoxalinamine
2-[[5-(2-Benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
(+)-(7S,8S)-guaiacylglycerol-beta-vanillic acid ether
A natural product found in Sinocalamus affinis.
3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide
1-(3-Methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea
5-Amino-1-[2-(3-chlorophenyl)-3,4-dimethyl-7-pyrazolo[3,4-d]pyridazinyl]-4-pyrazolecarbonitrile
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-6-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C18H24N2O4S (364.14567040000003)
methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-6-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C18H24N2O4S (364.14567040000003)
(2S,5S,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C17H20N2O5S (364.10928700000005)
propan-2-yl 4-[(4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
C21H20N2O4 (364.14230000000003)
4-[(3S)-3-benzylpyrrolidin-1-yl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
4-Methoxycarbonyl-5-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-cis)
C21H20N2O4 (364.14230000000003)
2,3,7-Triacetoxy-5-(1,1-dimethyl-2-oxopropyl)-2,4,6-cycloheptatrien-1-one
3-Methoxy-4-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]benzoic acid
hydroxy torasemide
C16H20N4O4S (364.12052000000006)
An aromatic primary alcohol resulting from the hydroxylation of the 3-methyl group of the phenyl ring of torasemide. It is a metabolite of torasemide.
4-hydroxy torasemide
C16H20N4O4S (364.12052000000006)
A member of the class of phenols that is torasemide which carries a hydroxy group at position 4 of the phenyl ring. It is a metabolite of torasemide.
Deschloroclozapine (dihydrochloride)
Deschloroclozapine dihydrochloride, a metabolite of Clozapine, is a highly potent muscarinic DREADDs agonist. Deschloroclozapine binds to DREADD receptor subtypes hM3Dq and hM4Di with Ki of 6.3 and 4.2 nM, respectively. [11C]-Deschloroclozapine is developed as a promising PET tracer for DREADD imaging[1][2][3].
MAGL-IN-4
C18H21ClN2O4 (364.11897760000005)
MAGL-IN-4 is an orally active, selective and reversible monoacylglycerol lipase (MAGL) inhibitor with an IC50 of 6.2 nM. MAGL-IN-4 can penetrate the blood-brain barrier (BBB). MAGL-IN-4 enhances endocannabinoid signaling mostly by the increase in the level of 2-AG via selective MAGL inhibition in the brain[1].