Exact Mass: 364.1289
Exact Mass Matches: 364.1289
Found 500 metabolites which its exact mass value is equals to given mass value 364.1289,
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].
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.
bumetanide
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
Bumetanide
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.
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
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
10-Hydroxycamptothecin
N-Hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)acetamide
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
Diaziquone
N'-[2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
N-acetylmuramoyl-L-alanine
n-acetylmuramyl-l-alanine
Pheneticillin
N-[(Furan-2-yl)methyl]-2-(N-methyl-2-phenoxyacetamido)benzamide
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
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
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
(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
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
(-)-(5R,6S)-5-carbamoyl-5-beta-D-glucopyranosyloxy-6-hydroxy-4-methoxy-1-methyl-5,6-dihydro-2-pyridone|acalyphin amide
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
8alpha-(4-hydroxymethacryloyloxy)-4-sonchucarpolide
(1R,2S,5R,5aR,7aS,10S,11S,11aS,11bR,14S)-7,7a,10,11,11a,11b-hexahydro-1,10,11-trihydroxy-8,11a,14-trimethyl-2H-5a,2,5-(methanoxymetheno)naphth[1,2-d]oxepine-4,6,(1H,5H)dione|samaderin C
(6S,7R,8S)-8,15-diacetoxy-14-hydroxymelampa-1(10),4,11(13)-trien-12,6-olide|(6S,7R,8S)-8,15-diacetoxy-14-hydroxymelampa-1(10),4,11(13)-trien-6,12-olide
7S,8R-3,4,7,9,9-pentahydroxy-3-methoxy-8-O-4-neolignan
8,13-diacetoxy-1beta-hydroxygermacra-4,7(11),10(14)-trien-6alpha,12-olide
(5R,6R,7R,8S,10S)-8,15-diacetoxy-14-hydroxyelema-1,3,11(13)-trien-6,12-olide
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
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
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
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.
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
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
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
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\\%
Ala Ala Cys Thr
Ala Ala Thr Cys
Ala Cys Ala Thr
Ala Cys Thr Ala
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 Thr Ala
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 Gly Ser Ser
Asp Ser Gly Ser
Asp Ser Ser Gly
Gly Ala Met Ser
Gly Ala Ser Met
Gly Cys Ser Val
Gly Cys Val Ser
Gly Asp Ser Ser
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
A penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group.
Gibberellin A55
Gibberellin A50
Gibberellin A49
Gibberellin A72
A C19-gibberellin, initially identified in Helianthus annuus. It differs from gibberellin A1 in the presence of a beta-OH at C-9 (gibbane numbering).
4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl ?-D-glucopyranoside
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
ethyl 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylate
2,2,2,2-(trans-Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid hydrate
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].
5-fluoro-o4-(2,4,6-trimethylphenyl)-2-deoxyuridine
pheneticillin
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
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
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
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].
[(1S,2S,6R)-5,6-diacetyloxy-1,2-dihydroxy-1-cyclohex-3-enyl]methyl ben zoate
N-Acetyl-α-cyano-p-benzoyl-D,L-phenylalanine, Ethyl Ester
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
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
Cyclopropanamine, 2-phenyl-, trans-(+-)-, sulfate (2:1)
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
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
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
2-[[(3-Methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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
(+)-(7S,8S)-guaiacylglycerol-beta-vanillic acid ether
A natural product found in Sinocalamus affinis.
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-6-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]methanone
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
(2S,5S,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
propan-2-yl 4-[(4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
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)
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
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
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
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].
(1r,4ar,6r,8ar)-1-bromo-8a-methyl-6-[(2e,4e)-6-methylhepta-2,4,6-trien-2-yl]-4-methylidene-hexahydro-1h-naphthalen-4a-ol
3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5s,6s,7r,7as)-5,6,7-trihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{[(1s,4as,5r)-4a,5,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
3-(3-hydroxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl benzoate
methyl (1s,3r,5r,7r,8s)-3,8-dihydroxy-7-({[(2z)-3-phenylprop-2-enoyl]oxy}methyl)-2,6-dioxabicyclo[3.2.1]octane-3-carboxylate
(2s,3r,4s,5s,6r)-2-{[(1s,4ar,5r,7s,7as)-5,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5r,6r)-2-{[(1s,4as,6r,7s,7as)-6,7-dihydroxy-7-(hydroxymethyl)-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-({4a,6,7-trihydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5-(1,2-dihydroxyethyl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
[(1s,2s,5s,6r)-2,5-bis(acetyloxy)-1,6-dihydroxycyclohex-3-en-1-yl]methyl benzoate
2-ethoxy-1,4,9-trihydroxy-1h,2h,3h,6bh,7h-benzo[j]fluoranthen-8-one
[(1s,2s,3r,6r,10r,11s,12s)-7-(2h-1,3-benzodioxol-5-yl)-9-oxotetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,7-dien-2-yl]acetic acid
(3r,6s)-6-(hydroxymethyl)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3-(methylsulfanyl)-6h-pyrazine-2,5-diol
6,7,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.0²,⁴]nonadeca-1(19),9,15,17-tetraene-8,14-dione
(2e,3r,4e)-3-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-4-formyl-2-(hydroxymethylidene)hex-4-enoic acid
(5z)-4-hydroxy-3-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-5-[(4-hydroxyphenyl)methylidene]furan-2-one
(2r,4r,6s,7s,9z,12s)-6,7,16,18-tetrahydroxy-12-methyl-3,13-dioxatricyclo[13.4.0.0²,⁴]nonadeca-1(19),9,15,17-tetraene-8,14-dione
[(1s,2r,5r,6s)-5,6-bis(acetyloxy)-1,2-dihydroxycyclohex-3-en-1-yl]methyl benzoate
18-hydroxycamptothecin
{"Ingredient_id": "HBIN002135","Ingredient_name": "18-hydroxycamptothecin","Alias": "NA","Ingredient_formula": "C20H16N2O5","Ingredient_Smile": "C1C2=CC3=CC=CC=C3N=C2C4=CC5=C(COC(=O)C5(CCO)O)C(=O)N41","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9882","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
