Exact Mass: 364.1051
Exact Mass Matches: 364.1051
Found 500 metabolites which its exact mass value is equals to given mass value 364.1051,
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
Sulfometuron-methyl
D010575 - Pesticides > D006540 - Herbicides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
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
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
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.
Xanthotoxol glucoside
Xanthotoxol glucoside is found in fruits. Xanthotoxol glucoside is a constituent of Aegle marmelos (bael fruit). Constituent of Aegle marmelos (bael fruit). Xanthotoxol glucoside is found in fruits.
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)
(1Ar,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-15,15a-dihydro-1aH-benzo[c]oxireno[2,3-k][1]oxacyclotetradecine-6,12(7H,14H)-dione
(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].
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
D000970 - Antineoplastic Agents
Pheneticillin
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].
radicicol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors An antifungal macrolactone antibiotic, obtained from Diheterospora chlamydosporia and Chaetomium chiversii that inhibits protein tyrosine kinase and heat shock protein 90 (Hsp90). C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C254 - Anti-Infective Agent > C514 - Antifungal Agent
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].
Carpachromene dimethyl ether
3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
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
18-bromooctadeca-5,7,17-triynoic acid methyl ester
5,6,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
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
(8S)-(-)-7,8-Dihydro-8-hydroxyaucubin|5,7-bisdeoxy-cynanchoside|5,7-bisdeoxycynanchoside
(+)-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
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
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
6-{2-[(1Z)-1-(5-chloro-1H-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl]-1,3-oxazol-4-yl}-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-one|pyrronazol A2
(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
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.
Bergaptol-O-glucopyranoside
Bergaptol-O-glucopyranoside is a natural product found in Hansenia forbesii, Ostericum grosseserratum, and Glehnia littoralis with data available.
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
C18H17ClO6_(1aS,2Z,4E,14R,15aS)-8-Chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione
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
(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
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\\%
(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione_74.5\\%
(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione_major
(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
Ala Cys Asp Gly
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PHENETHICILLIN
A penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group.
Xanthotoxol glucoside
4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl ?-D-glucopyranoside
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
5-{[1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl}-2-py ridinamine
2-(piperazin-1-yl)-acetic acid n-(2-pyridyl)-amide 3 hcl 2 h2o
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
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
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-
Levomepromazine hydrochloride
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine
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].
5-CYANO-3,4-DI(4-METHOXYPHENYL)THIOPHENE-2-CARBOXAMIDE
5-(1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester dihydrochloride hydrate
C15H18N2O3.2(HCl).H2O (364.0957)
[(1S,2S,6R)-5,6-diacetyloxy-1,2-dihydroxy-1-cyclohex-3-enyl]methyl ben zoate
Apararenone
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal
ethyl 2-[3-(1H-benzimidazol-2-yl)-2-oxochromen-7-yl]oxyacetate
tert-butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate
(S)-3-Methyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazole-3-carboxylic acid N-(4-cyano-3-trifluoromethylphenyl)amide
5-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-6-YL)-pentanoic acid (4-nitro-phenyl)-amide
(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
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
N-[2-(1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
(E)-[4-(3,5-Difluorophenyl)-3h-Pyrrolo[2,3-B]pyridin-3-Ylidene](3-Methoxyphenyl)methanol
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
7,8-Dimethoxy-9-(1,3-benzodioxole-5-yl)naphtho[2,3-c]furan-1(3H)-one
6-Methylpretetramide(1-)
A phenolate anion that is the conjugate base of 6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(4R,6S,8S,9E,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors
3,3-Dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone
N-(1,3-benzodioxol-5-yl)-6-chloro-2-(2-pyridinyl)-3-imidazo[1,2-a]pyridinamine
Cyclopropanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide
2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
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
methyl 2-(9,10a-dihydroxy-4a-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
[(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone
(2S,5S,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
3,5,7-Trihydroxy-2-(1-hydroxy-5-methoxy-4-oxocyclohex-2-en-1-yl)-6-methoxychromen-4-one
3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-6-methoxychromen-4-one
(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
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
sulfometuron-methyl
D010575 - Pesticides > D006540 - Herbicides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
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
6-{2-[1-(5-chloro-1h-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl]-1,3-oxazol-4-yl}-4-methoxy-5-methyl-5,6-dihydropyran-2-one
methyl (17e)-18-bromooctadeca-15,17-dien-5,7-diynoate
(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
9-(2h-1,3-benzodioxol-5-yl)-7,8-dimethoxy-3h-naphtho[2,3-c]furan-1-one
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
methyl 5,7-dihydroxy-2-methyl-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate
16-hydroxy-15-(3-methylbut-2-en-1-yl)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-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
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
(4s,6s,8s,9z,11e)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),9,11,15,17-pentaene-2,13-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"}
2-chlorosamaderine a
{"Ingredient_id": "HBIN005459","Ingredient_name": "2-chlorosamaderine a","Alias": "NA","Ingredient_formula": "C18H17ClO6","Ingredient_Smile": "CC1=C(C(=O)C2(C1=CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3571","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bergaptol; o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN017915","Ingredient_name": "bergaptol; o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H16O9","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6342","PubChem_id": "NA","DrugBank_id": "NA"}
