Exact Mass: 362.06714980000004
Exact Mass Matches: 362.06714980000004
Found 369 metabolites which its exact mass value is equals to given mass value 362.06714980000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chelirubine
C21H16NO5+ (362.10284260000003)
A benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10.
Fosphenytoin
Fosphenytoin is a water-soluble phenytoin prodrug used only in hospitals for the treatment of epileptic seizures. It works by slowing down impulses in the brain that cause seizures. Its main mechanism is to block frequency-dependent, use-dependent and voltage-dependent neuronal sodium channels, and therefore limit repetitive firing of action potentials. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D049990 - Membrane Transport Modulators
1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one
C15H8F6N2O2 (362.04899399999994)
Phthalylsulfacetamide
C16H14N2O6S (362.05725440000003)
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
2-O-Galloylgalactaric acid
2-O-Galloylgalactaric acid is found in fruits. 2-O-Galloylgalactaric acid is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloylgalactaric acid is found in fruits.
fructose-6-phosphate lactate
Piretanide
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
Polyribophosphate
C10H19O12P (362.06141040000006)
3',6'-Dihydroxy-4,5-diaminospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
Pentazirinocyclodiphosphathiazene
Chamanetin
2,7-Dihydroxy-1-(4-hydroxybenzoyl)4-methoxy-9,10-dihydrophenanthrene
5,8,3,4,5-Pentahydroxy-3,7-dimethoxyflavone
Isochamanetin
A natural product found in Piper sarmentosum.
7,8-Di-Me ether-3-(3,4-Dihydroxybenzyl)-5,6,7,8-tetrahydroxy-4-chromanone
2-Chloro-6-hydroxy-3-methoxy-1,4,8-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbaldehyde
depside atranorin|Homodiploschistesinsaeure-methylester
3a,4-dihydroxy-3-(4-hydroxy-5-oxo-2,5-dihydro-furan-2-yloxymethylene)-5-methoxy-3,3a,8,8a-tetrahydro-1-oxa-cyclopenta[a]inden-2-one|peagol
Secosterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Methyl 18-Bromo-(17Z)-octadeca-17-ene-5,7,15-triynoate
(+)-Halenaquinol dimethyl ether|(12bS)-(+)-8,11-dimethoxy-12b-methyl-1H-benzo[6,7]phenanthro(10,1-bc)furan-3,6(2H,12b H)-dione|halenaquinol dimethyl ether
2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol
3,4,7-Tri-Me ether-3,3,4,5,5,7,8-Heptahydroxyflavone
3-(3-Hydroxy-4-methoxybenzyl)-3,5,6-trihydroxy-7-methoxychroman-4-one
1-(p-hydroxybenzoyl)-2-methoxy-4,7-dihydroxy-9,10-dihydrophenanthrene
1-bromo-4-(2-chloro-1-ethyl-2-methyl-pentyloxy)-3-epi-methoxy-4,6,6-trimethyl-cyclohexene|cycloelatanene B
3,4,8-Tri-Me ether-3,3,4,5,5,7,8-Heptahydroxyflavone
4,5-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3H-furo[2,3,4-kl]pyrrolo[4,3,2-fg][3]benzazocine-3,6(8H)-dionem|calanthumindole
5,5-Bis(3,3-Dimethoxy-1-propinyl)-2,2-bithienyl|5,5-bis-(3,3-dimethoxy-prop-1-ynyl)-[2,2]bithiophenyl
Pannarin
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by methyl groups at positions 1,6 and 9, chloro group at position 2, hydroxy group at position 3, formyl group at position 4, methoxy group at position 8 and an oxo group at position 11. It is a lichen metabolite isolated from several Psoroma species.
4-Hydroxy-5-(3-methylbutyryl)-9-phenyl-1,6-dioxa-7H-benzo[e]indene-7-one
Methyl 18-Bromo-(9Z,15Z,17E)-octadeca-9,15,17-triene-5,7-diynoate
O1-(4-phenoxy-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Phenoxy-phenyl)-beta-D-glucopyranuronsaeure
3,5,8-Tri-Me ether-2,3,4,5,5,7,8-Heptahydroxyflavone
5-hydroxy-6,8-dimethoxy-2-benzyl-4h-naphtho[2,3-b]-pyran-4-one
DAF-2
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
3,8-dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one
methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Piretanide
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
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]
FR140423
C18H16F2N2O2S (362.09004999999996)
CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8446; ORIGINAL_PRECURSOR_SCAN_NO 8442 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8470; ORIGINAL_PRECURSOR_SCAN_NO 8469 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8485; ORIGINAL_PRECURSOR_SCAN_NO 8483 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8519; ORIGINAL_PRECURSOR_SCAN_NO 8516 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8520; ORIGINAL_PRECURSOR_SCAN_NO 8517 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8527; ORIGINAL_PRECURSOR_SCAN_NO 8525
Asp Asp Gly Gly
Asp Gly Asp Gly
Asp Gly Gly Asp
Gly Asp Asp Gly
Gly Asp Gly Asp
Gly Gly Asp Asp
5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid
Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate
Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate
5-CHLORO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
C17H15ClN2O3S (362.0491870000001)
ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate
C17H15ClN2O5 (362.06694500000003)
3,3,4,4,5,5,6,6,6-nonafluorohexyl-di(propan-2-yl)silane
7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
C18H16ClFN2O3 (362.08334279999997)
tert-butyl N-[2-amino-2-(2-iodophenyl)ethyl]carbamate
n-(2-hydroxyethyl)ethylenediaminetriacetic acid, trisodium salt hydrate, 85
C10H17N2Na3O8 (362.06779620000003)
2,2,3,3,4,4,5,5,6,6,7,7-DODECAFLUORO-1,8-OCTANEDIOL
9-FLUORENYLMETHYL N-(2-AMINOETHYL)CARBAMATE HYDROBROMIDE
C17H19BrN2O2 (362.06298139999996)
2,2-DIMETHYL-5-[(4-MORPHOLINO-3-NITROPHENYL)METHYLENE]-1,3-DIOXANE-4,6-DIONE
C17H18N2O7 (362.11139579999997)
ethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate,methyl sulfate
Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-4-(4-chlorophenyl)-1,4-dihydro-3-methyl-1-phenyl-
N4-(3-Chloro-4-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
sodium,3,7-dimethylpurine-2,6-dione,2-hydroxybenzoate
TERT-BUTYL 3-(BENZYLOXY)-4-BROMOBENZOATE
C18H19BrO3 (362.05174839999995)
2-[3,5-bis(trifluoromethyl)benzoyl]benzoic acid
C16H8F6O3 (362.03776099999993)
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridin-2-ylpropanamide
4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
C22H10N4O2 (362.08037199999995)
4-BENZYLOXY-5-BROMO-2-(4-METHYLPIPERAZIN-1-YL)-PYRIMIDINE
C16H19BrN4O (362.07421439999996)
Piperazine-1,4-bis(2-hydroxypropanesulfonic acid) dihydrate
N-(5-AMINOPENTYL)-5-CHLORO-1-NAPHTHALENE-SULFONAMIDE HYDROCHLORIDE
METHYL 6-(2-BROMOPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
C16H15BrN2O3 (362.02659800000004)
Piperazine, 1-[(5-bromo-2-methoxyphenyl)sulfonyl]-4-ethyl
C13H19BrN2O3S (362.02996840000003)
7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2-oxo-2H-1,4-benzodiazepin-3-yl acetate
tert-butyl N-[2-amino-2-(4-iodophenyl)ethyl]carbamate
3-TRIFLUOROMETHYLBENZOIC ANHYDRIDE
C16H8F6O3 (362.03776099999993)
4-(trifluoromethyl)benzoic anhydride
C16H8F6O3 (362.03776099999993)
diethyl 3-amino-6-(trifluoromethyl)thieno[2,3-b]pyridine-2,5-dicarboxylate
C14H13F3N2O4S (362.05480940000007)
mexazolam
C18H16Cl2N2O2 (362.05887759999996)
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(R)-3-((6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-YL)THIO)-5-UREIDOISOTHIAZOLE-4-CARBOXAMIDE
1,5-diamino-4,8-dihydroxy(4-hydroxyphenyl)anthraquinone
4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline,chloride
2-phenoxyethoxycarbonyloxy 2-phenoxyethyl carbonate
[5-(3-Oxopropylamino)thieno[3,2-b]pyridin-7-yl] benzoate hydrochloride
C17H15ClN2O3S (362.0491870000001)
Landipirdine
C18H19FN2O3S (362.11003560000006)
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
Trimethyl[1-(2,6-xylylcarbamoyl)ethyl]ammonium iodide
C14H23IN2O (362.08550579999996)
4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]benzaldehyde
C19H13F3O2S (362.05883140000003)
3-(Perfluorobutyl)-2-hydroxypropyl methacrylate
C11H11F9O3 (362.0564443999999)
Methyl 7-methoxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
1-{[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}piperazine
4-phenylmethoxy-3-phenylmethoxycarbonylbenzoic acid
N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl N-(4-chlorophenyl)carbamate
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
C15H14N4O5S (362.06848740000004)
3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]-4-fluorobenzamide
1,5-Dihydroxy-4,8-bis(hydroxy(hydroxymethyl)amino)anthraquinone
(Z)-5-[(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)methoxy]-3-methyl-5-oxopent-3-enoic acid
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
3-{5-[Amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-YL}-1,1-biphenyl-2-olate
6-Chloro-2-(2-hydroxy-biphenyl-3-YL)-1H-indole-5-carboxamidine
4-methyl-N-{(2Z,5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}benzenesulfonamide
Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-2,3-dihydrochromen-4-one
4-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
5-xanthylate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
7,8-Didemethyl-8-hydroxy-5-deazariboflavin(1-)
C16H16N3O7- (362.09882059999995)
[5,6,7,8-Tetrahydroxy-8-(hydroxymethyl)-2-oxo-1,3,9-trioxa-2lambda5-phosphaspiro[3.5]nonan-2-yl] 2-hydroxypropaneperoxoate
5-Chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol
6-(1,3-benzodioxol-5-yl)-N-(2-thiazolylmethyl)-4-quinazolinamine
4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate
4-chloro-N-[4-[3-(methylthio)anilino]-4-oxobutyl]benzamide
3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile
1-(2-Methoxy-3-dibenzofuranyl)-3-(3-methylphenyl)thiourea
2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide
3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide
Benzoic acid [3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
C17H18N2O7 (362.11139579999997)
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
C16H18N4S3 (362.06935480000004)
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-phenoxyacetamide
5-[(2-Chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide
8-Chloro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
C16H15ClN4O4 (362.07817800000004)
N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide
N-[(2-methoxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide
C16H18N4O4S (362.10487080000007)
1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
2-(4-Methylcyclohexylidene)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile
3-(2-chlorophenyl)-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
N,8-Dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-C]quinoline-2-carboxamide
N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide
4-[5-(3-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
C17H15ClN2O3S (362.0491870000001)
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide
C14H14N6O2S2 (362.06196239999997)
7-Phenyl-9-(trifluoromethyl)pyrido[2,3:4,5]thieno[2,3-b]pyridine-2,4-diol
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
Cefadroxil(1-)
A cephalosporin carboxylic acid anion having a 7beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino side-chain, formed by proton loss from the carboxy group of the cephalosporin cefadroxil.
3-bromo-N-[(E)-(2,4-dimethoxyphenyl)methylidene]benzohydrazide
C16H15BrN2O3 (362.02659800000004)
6-(3-Aminopropoxy)-4-(3-chloro-4-fluoroanilino)quinazolin-7-ol
2-[4,6-dihydroxy-2-methoxy-3-[(E)-3-methyl-4-sulfooxybut-2-enyl]phenyl]acetic acid
C14H18O9S (362.06714980000004)
2-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2-sulooxyacetic acid
C14H18O9S (362.06714980000004)
6-(3-Carboxy-2,4,6-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[2,4-Dihydroxy-3-(hydroxymethyl)-6-methylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoic acid
Fosphenytoin
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D049990 - Membrane Transport Modulators
5-xanthylate(2-)
A nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of 5-xanthylic acid; major species at pH 7.3.
NS-1619
C15H8F6N2O2 (362.04899399999994)
sydoxanthone C
C17H14O7S (362.04602140000003)
A member of the class of xanthones that is 9H-xanthen-9-one substituted by methoxycarbonyl, methylsulfinyl, hydroxymethyl and hydroxy groups at positions 1, 2, 6 and 8, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01.
BPDBA
BPDBA is a selective and noncompetitive betaine/GABA transporter (BGT-1) inhibitor with IC50s of 20 μM and 35 μM against human BGT-1 and mouse GAT2, respectively[1].
BZAD-01
C16H12F6N2O (362.08537739999997)
BZAD-01 is a potent, selective and orally active inhibitor of NMDA NR2B subunit, with a Ki of 72 nM. BZAD-01 can improve postural asymmetry as well as Apomorphine-induced rotation[1].
DPBQ
DPBQ activates p53 and triggers apoptosis in a polyploid-specific manner, but does not inhibit topoisomerase or bind DNA. DPBQ elicits expression and phosphorylation of p53 and this effect is specific to tetraploid cells[1].
L-745870 (hydrochloride)
L-745870 hydrochloride is a potent, selective, brain-penetrant and orally active dopamine D4 receptor antagonist with a Ki of 0.43 nM. L-745870 hydrochloride shows weaker affinity for D2 (Ki of 960 nM) and D3 (Ki of 2300 nM) receptors, and exhibits moderate affinity for 5-HT2 receptors, sigma sites and α-adrenoceptors[1][2][3].
ZINC00784494
C20H14N2O3S (362.07250940000006)
ZINC00784494 is a specific Lipocalin-2 (LCN2) inhibitor. ZINC00784494 inhibits cell proliferation, cell viability and reduces AKT phosphorylation levels in SUM149 cells. ZINC00784494 has good potential for research in inflammatory breast cancer (IBC)[1].
(1s,2e,4e)-1-[(1r,6s)-4-[(acetyloxy)methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-3-methyl-6-oxohexa-2,4-dien-1-yl acetate
(2s)-2-(2,6-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-2,3-dihydro-1-benzopyran-4-one
methyl (9z,15z,17e)-18-bromooctadeca-9,15,17-trien-5,7-diynoate
5,14,15-trihydroxy-4-(hydroxymethyl)-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaene-6-carboxylic acid
methyl 8-hydroxy-6-(hydroxymethyl)-2-methanesulfinyl-9-oxoxanthene-1-carboxylate
C17H14O7S (362.04602140000003)
5-hydroxy-6-[(2r)-2-methylbutanoyl]-4-phenylfuro[2,3-h]chromen-2-one
6-[(2,4-dihydroxy-3,6-dimethylbenzoyloxy)methyl]-2,4-dihydroxy-3-methylbenzoic acid
methyl 2-(1,2,3,6,7,8-hexahydroxy-10-oxo-9h-anthracen-9-yl)acetate
3,8-dihydroxy-1-methoxy-4-[(2r,3s)-1,3,4-trihydroxybutan-2-yl]xanthen-9-one
(2r,4s)-5,10-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione
5-(4-hydroxy-7-methoxy-6-methyl-2h-1,3-benzodioxol-5-yl)-7-methoxy-6-methyl-2h-1,3-benzodioxol-4-ol
(6r)-6,9,10-trihydroxy-8-methoxy-1-oxo-3-[(1e)-prop-1-en-1-yl]-6h-pyrano[4,3-c]isochromene-7-carboxylic acid
3-[(3,4-dihydroxyphenyl)methyl]-5,6-dihydroxy-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
2-(1-chloro-2,3-dihydroxypropan-2-yl)-10-hydroxy-1h,2h-furo[3,2-a]xanthen-11-one
4-(4-carboxy-2-methoxyphenoxy)-5-methoxybenzene-1,2-dicarboxylic acid
1-{6-bromo-5-ethyl-4,9-dioxabicyclo[6.1.0]nonan-3-yl}-2-chlorohex-3-en-5-yn-1-ol
C15H20BrClO3 (362.0284260000001)
2,3-dihydroirigenin
{"Ingredient_id": "HBIN004022","Ingredient_name": "2,3-dihydroirigenin","Alias": "NA","Ingredient_formula": "C18H18O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)O)C2COC3=CC(=C(C(=C3C2=O)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15075","TCMID_id": "5646","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol
{"Ingredient_id": "HBIN005434","Ingredient_name": "2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol","Alias": "NA","Ingredient_formula": "C18H18O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2915","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4- o -methylerythrostominone
{"Ingredient_id": "HBIN010783","Ingredient_name": "4- o -methylerythrostominone","Alias": "NA","Ingredient_formula": "C18H18O8","Ingredient_Smile": "CC(=O)CC1CC(C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)OC","Ingredient_weight": "362.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7986","PubChem_id": "101036749","DrugBank_id": "NA"}
8-Methoxysangu inarine
C21H16NO5+ (362.10284260000003)
{"Ingredient_id": "HBIN013821","Ingredient_name": "8-Methoxysangu inarine","Alias": "NA","Ingredient_formula": "C21H16NO5+","Ingredient_Smile": "C[N+]1=C2C(=C3C=CC4=C(C3=C1OC)OCO4)C=CC5=CC6=C(C=C52)OCO6","Ingredient_weight": "362.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37098","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101839187","DrugBank_id": "NA"}
{6-[1-(acetyloxy)-3-methyl-6-oxohexa-2,4-dien-1-yl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate
(2r,4s)-6,9-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione
5-[(5e)-chromeno[2,3-c]pyridin-5-ylidene]chromeno[2,3-c]pyridine
(2s,3r)-2,5,7-trihydroxy-3-[(s)-hydroxy(4-hydroxyphenyl)methyl]-6-methoxy-8-methyl-2,3-dihydro-1-benzopyran-4-one
4-(5-carboxy-2,3-dimethoxyphenoxy)benzene-1,3-dicarboxylic acid
3,8-dihydroxy-1-methoxy-4-[(2s,3s)-1,3,4-trihydroxybutan-2-yl]xanthen-9-one
5-{chromeno[2,3-c]pyridin-5-ylidene}chromeno[2,3-c]pyridine
2,5,7-trihydroxy-3-[hydroxy(4-hydroxyphenyl)methyl]-6-methoxy-8-methyl-2,3-dihydro-1-benzopyran-4-one
(1r,2r,3z)-1-[(1r,3r,5r,6s,8s)-6-bromo-5-ethyl-4,9-dioxabicyclo[6.1.0]nonan-3-yl]-2-chlorohex-3-en-5-yn-1-ol
C15H20BrClO3 (362.0284260000001)
(1r,2s,11r,13s)-1,6-dihydroxy-8-methoxy-13,15-dimethyl-3,12,14-trioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹¹,¹⁵]octadeca-5,7,9-triene-4,17-dione
4-hydroxy-5-(3-methylbutanoyl)-9-phenylfuro[2,3-f]chromen-7-one
15-chloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
2',4,4',12-tetraoxaspiro[tetracyclo[5.4.1.0¹,⁷.0³,⁵]dodecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9,9',11'-hexaene-6,8,11-trione
[(1r,2r,4r,5s,6r,7s)-5,6-bis(acetyloxy)-3,8-dioxatricyclo[5.1.0.0²,⁴]octan-4-yl]methyl benzoate
methyl (17e)-18-bromooctadeca-9,15,17-trien-5,7-diynoate
3,5,6-trihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2h-1-benzopyran-4-one
methyl (17e)-18-bromooctadec-17-en-5,7,15-triynoate
methyl 3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate
5,8-dihydroxy-3,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
(2s,3r)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydro-1-benzopyran-4-one
methyl 2-(4-hydroxy-3-{[2-hydroxy-5-(2-methoxy-2-oxoethyl)phenyl]sulfanyl}phenyl)acetate
C18H18O6S (362.08240480000006)
6,6-dimethyl-5,12,18,20,24-pentaoxahexacyclo[12.10.0.0²,¹¹.0⁴,⁹.0¹⁵,²³.0¹⁷,²¹]tetracosa-1(14),2(11),3,7,9,15(23),16,21-octaen-13-one
(3s)-3,5,6-trihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2h-1-benzopyran-4-one
1-(3,4-dihydroxyphenyl)-1,3-dihydroxypropan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
5-chloro-14-hydroxy-6-methoxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde
2-hydroxyethyl 2-(2,4-dihydroxy-3-methoxybenzoyl)-3-hydroxy-4-methylbenzoate
8-(4-hydroxybenzoyl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
1,6-dihydroxy-8-methoxy-13,15-dimethyl-3,12,14-trioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹¹,¹⁵]octadeca-5,7,9-triene-4,17-dione
6,9,10-trihydroxy-8-methoxy-1-oxo-3-[(1e)-prop-1-en-1-yl]-6h-pyrano[4,3-c]isochromene-7-carboxylic acid
(1s,2r,4s,12r)-7-hydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,13,16(23),17,19-heptaene-5,15-dione
5-hydroxy-3-(4-hydroxy-5-methyl-2-oxochromen-3-yl)-2-methylnaphthalene-1,4-dione
8,13,18-trihydroxy-12-oxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁷,²¹]henicosa-1(21),2(11),4,6,8,14,17,19-octaene-3,10,16-trione
(1r,1'r,10'r,12'r)-7'-hydroxy-5-methoxy-2',11'-dioxaspiro[naphthalene-1,3'-tetracyclo[6.4.1.0⁴,¹³.0¹⁰,¹²]tridecane]-4'(13'),5',7'-triene-4,9'-dione
5,7-dihydroxy-3,6-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
methyl 5-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-3-methoxybenzoate
(1s,2r,11s,13r)-1,6-dihydroxy-8-methoxy-13,15-dimethyl-3,12,14-trioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹¹,¹⁵]octadeca-5,7,9-triene-4,17-dione
6,9,10-trihydroxy-8-methoxy-1-oxo-3-(prop-1-en-1-yl)-6h-pyrano[4,3-c]isochromene-7-carboxylic acid
methyl (17z)-18-bromooctadec-17-en-5,7,15-triynoate
(2r,3s,4r,5r)-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioic acid
methyl 2-hydroxy-3,6-dimethyl-4-(2,3,4-trihydroxy-6-methylbenzoyloxy)benzoate
13-chloro-14-hydroxy-6-methoxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-15-carbaldehyde
7'-hydroxy-5-methoxy-2',11'-dioxaspiro[naphthalene-1,3'-tetracyclo[6.4.1.0⁴,¹³.0¹⁰,¹²]tridecane]-4'(13'),5',7'-triene-4,9'-dione
(2s)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydro-1-benzopyran-4-one
1-[(3ar,8ar)-6-bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-2h,3h,8ah-pyrrolo[2,3-b]indol-8-yl]ethanone
5,10-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione
methyl 2-hydroxy-3-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate
2-chloro-1,8-dihydroxy-6-(2-hydroxypropyl)-3-methoxyanthracene-9,10-dione
(3r)-5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydro-1-benzopyran-4-one
6,9-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-5,10-dione
13-chloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
(1s)-7-methoxy-1-methyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12,17-tetrone
(3r)-3-[(3,4-dihydroxyphenyl)methyl]-5,6-dihydroxy-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
(6s)-6-(prop-1-en-2-yl)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-1(13),2(10),3,8,14(22),15,20-heptaen-12-one
2-chloro-1,8-dihydroxy-6-[(2s)-2-hydroxypropyl]-3-methoxyanthracene-9,10-dione
(2e,4e)-1-{4-[(acetyloxy)methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-3-methyl-6-oxohexa-2,4-dien-1-yl acetate
5-hydroxy-6-(2-methylbutanoyl)-4-phenylfuro[2,3-h]chromen-2-one
methyl (9e,15z,17e)-18-bromooctadeca-9,15,17-trien-5,7-diynoate
8-(5,5-dimethyl-4-oxofuran-3-yl)-7-methoxy-2-phenylchromen-4-one
(1r,2s)-1-(3,4-dihydroxyphenyl)-1,3-dihydroxypropan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-dimethoxychromen-4-one
(2s)-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2r)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydro-1-benzopyran-4-one
1-(4-hydroxybenzoyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
1-[6-bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-2h,3h,8ah-pyrrolo[2,3-b]indol-8-yl]ethanone
5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-2,3-dihydro-1-benzopyran-4-one
3-(4-hydroxyphenyl)-7-[(4-hydroxyphenyl)sulfanyl]cyclohepta[b]furan-2-one
C21H14O4S (362.06127640000005)