Exact Mass: 397.1220198
Exact Mass Matches: 397.1220198
Found 407 metabolites which its exact mass value is equals to given mass value 397.1220198,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
acutumine
C19H24ClNO6 (397.12920740000004)
Acutumine is an alkaloid. Acutumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and other organisms with data available. Dauricumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and Menispermum dauricum with data available.
Aureothin
A C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities.
4-Keto-ATC
Deoxydesulfoglucohirsutin
C16H31NO6S2 (397.15927059999996)
Simulansamide
Simulansamide is found in fruits. Simulansamide is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper
Navarixin
C21H23N3O5 (397.16376280000003)
1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone
C19H25Cl2N3O2 (397.13237300000003)
CI-1044
2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
C22H19N7O (397.16510040000003)
6-[[3-Fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
1,2,4-Triazolo(4,3-b)pyridazine, 7-cyclobutyl-3-(2,6-difluorophenyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-
MK0343 (MRK-409) is an orally bioavailable GABAA receptor subtype-selective partial agonist. MK0343 is a non-sedating anxiolytic[1].
Abexinostat
C21H23N3O5 (397.16376280000003)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Radiprodil
C21H20FN3O4 (397.14377720000005)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Radiprodil (RGH-896) is an orally active and selective NMDA NR2B antagonist. A potential therapeutic agent in treatment of neuropathic pain and possibly other chronic pain conditions[1].
Rivoglitazone
C20H19N3O4S (397.1096214000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
4-Hydroxy-5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
C20H19N3O4S (397.1096214000001)
4-Methoxy-3,3',5-trihydroxybibenzyl
4-methoxy-3,3,5-trihydroxybibenzyl is a member of the class of compounds known as aminobenzenesulfonamides. Aminobenzenesulfonamides are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. 4-methoxy-3,3,5-trihydroxybibenzyl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-methoxy-3,3,5-trihydroxybibenzyl can be found in black crowberry, which makes 4-methoxy-3,3,5-trihydroxybibenzyl a potential biomarker for the consumption of this food product.
8-methylthiooctyldesulfoglucosinolate
C16H31NO6S2 (397.15927059999996)
8-methylthiooctyldesulfoglucosinolate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-methylthiooctyldesulfoglucosinolate can be found in a number of food items such as hedge mustard, borage, bog bilberry, and garden onion (variety), which makes 8-methylthiooctyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
[7-hydroxy-1-(1-hydroxyethyl)-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl]acetic acid
(E)-N-feruloyltyramine diacetate|diacetyl N-trans-feruloyl tyramine|Diacetyl-N-feruloyltyramin|N-trans-feruloyal tyramine diacetate|N-trans-feruloyl tyramine diacetate|N-trans-feruloyltyramine diacetate
2,3-dihydroxybenzoyl-D-argininyl-L-serine|N-[N-(2,3-dihydroxybenzoyl)-arginyl]-serine|N-[N-(2,3-dihydroxybenzoyl)-D-arginyl]-L-serine|vanchrobactin
7-beta-D-glucopyranosyl-3-[(Z)-4-hydroxy-3-methyl-2-butenyl]isoguanine|saikachinoside A
(S)-6-acetyl-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]dioxolo[4,5:4,5]benzo[1,2-g]quinoline|3-Methoxy-N-acetylnornantenine|N-De-Me,N-Ac-(??)-Phoebine
(+)-N-(methoxycarbonyl)-N-norisocorydione
C21H19NO7 (397.11614640000005)
(2S)-2-{[(1-acetyl-9H-beta-carbolin-3-yl)carbonyl]amino}-5-methoxy-5-oxopentanoic acid|dichotomine G|N-[(1-acetyl-9H-pyrido[3,4-b]indol-3-yl)carbonyl]-L-glutamic acid 5-methyl ester|tunicoidine E
C20H19N3O6 (397.12737940000005)
(13bS)-13,16-dimethoxy-4,5,7,8,13b,14-hexahydro-[1,3]dioxino[4,5:7,8]isoquino[3,2-a][1,3]dioxolo[4,5-g]isoquinoline|Bractavin|rac.-Orientalidin
2-Methylthio-trans-zeatin Riboside (2MeStZR)
C16H23N5O5S (397.14198280000005)
2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
CI-1044
CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6780; ORIGINAL_PRECURSOR_SCAN_NO 6778 D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6785; ORIGINAL_PRECURSOR_SCAN_NO 6781 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6803; ORIGINAL_PRECURSOR_SCAN_NO 6801 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6797; ORIGINAL_PRECURSOR_SCAN_NO 6796 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6814; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6816; ORIGINAL_PRECURSOR_SCAN_NO 6813
Ala Gly His Asn
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Ala Asn Gly His
Ala Asn His Gly
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Gly Ala Asn His
Gly Gly His Gln
Gly Gly Gln His
Gly His Ala Asn
Gly His Gly Gln
Gly His Asn Ala
Gly His Gln Gly
Gly Asn Ala His
Gly Asn His Ala
Gly Gln Gly His
Gly Gln His Gly
His Ala Gly Asn
His Ala Asn Gly
His Gly Ala Asn
His Gly Gly Gln
His Gly Asn Ala
His Gly Gln Gly
His Asn Ala Gly
His Asn Gly Ala
His Gln Gly Gly
Asn Ala Gly His
Asn Ala His Gly
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Asn Gly His Ala
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S-adenosyl-4-methylthio-2-oxobutanoate
A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
Trp-Ala-OH
C20H19N3O6 (397.12737940000005)
Abu-Trp-OH
C20H19N3O6 (397.12737940000005)
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid
C18H23NO7S (397.11951680000004)
Faropenem daloxate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
Chromonar hydrochloride
C20H28ClNO5 (397.1655908000001)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
6-TRITYL-5,6,7,7A-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2(4H)-ONE
C26H23NOS (397.15002680000003)
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thien[3,2-c]pyridinone
C26H23NOS (397.15002680000003)
5-ethoxy-4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
1,4-bis(phenylmethoxycarbonyl)piperazine-2-carboxylate
2-[4-[2-hydroxy-2-(3-phenoxypropylamino)ethoxy]phenoxy]acetic acid,hydrochloride
C19H24ClNO6 (397.12920740000004)
Timiperone
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
1-TERT-BUTYL 4-ETHYL 4-(IODOMETHYL)PIPERIDINE-1,4-DICARBOXYLATE
H-Ala-Pro-AFC
C18H18F3N3O4 (397.12493440000003)
H-Ala-Pro-AFC is a biological active peptide. (This is a fluorescent peptide, Abs/Em=380/500nm. It is a substrate for dipeptidyl peptidase IV (DPP IV) and Xaa-Pro dipeptidase.)
N,N-DIMETHYL-N-(2-[METHACRYLOYL]ETHYL)-N-(1-OCTYL)AMMONIUM IODIDE
C16H32INO2 (397.14776820000003)
3-(2-Chlorophenyl)-6-fluoro-2-[[(2-fluorophenyl)amino]methyl]-4(3H)-quinazolinone
C21H14ClF2N3O (397.07934080000007)
Glycopyrrolate
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents Glycopyrrolate (Glycopyrronium bromide), a quaternary ammonium derivative, is a muscarinic receptor antagonist. Glycopyrrolate has bronchoprotective effect and produces a beneficial effect on blood pressure. Glycopyrrolate can be used for the research of bronchial diseases[1][2][3].
4-((2-(5-CHLORO-2-FLUOROPHENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)AMINO)-N-METHYLNICOTINAMIDE
SD-06
C20H20ClN5O2 (397.13054500000004)
4,5,6,7-Tetrahydro-5-(triphenylmethyl)-thieno[3,2-c]pyridin-2(3H)-one
C26H23NOS (397.15002680000003)
Beryllium bisbenzo[h]quinolin-10-olate
C26H16BeN2O2 (397.13335459999996)
Methscopolamine bromide
C18H24BrNO4 (397.08886040000004)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
Brequinar sodium
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-[(2-Cyano-4-biphenylyl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic acid
6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine
C21H20ClN3O3 (397.11931200000004)
β-D-Glucopyranose, 1,6-anhydro-2-azido-2-deoxy-4-O-[(4-Methoxyphenyl)Methyl]-3-O-(phenylMethyl)-
C21H23N3O5 (397.16376280000003)
4-(4-Methoxy-4-biphenylylsulfonylaminomethyl)benzoic acid
C21H19NO5S (397.0983884000001)
Glycopyrronium bromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents
2-(DIBENZYLAMINO)-4-HYDROXY-3-METHOXY&
C23H24ClNO3 (397.14446240000007)
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(thian-4-yl)acetic acid
C22H23NO4S (397.13477180000007)
3-[5-(1h-Imidazol-1-Yl)-7-Methyl-1h-Benzimidazol-2-Yl]-4-[(Pyridin-2-Ylmethyl)amino]pyridin-2(1h)-One
C22H19N7O (397.16510040000003)
Bradanicline hydrochloride
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
4-O-[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]-beta-D-glucopyranuronic acid
methyl 2-acetamido-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
C15H27NO11 (397.15840319999995)
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
VU 0365114 is a selective mAChR M5 positive allosteric modulator, with an EC50 of 2.7 μM, and >30 μM for M1, M2, M3 and M4 receptors. VU 0365114 increases insulin secretion stimulated by ACh in human β-cells[1][2][3].
7-Hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
5-[(4-Phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol
C19H19N5OS2 (397.10309639999997)
2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
C20H19N3O4S (397.1096214000001)
2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine
C16H23N5O5S (397.14198280000005)
8-hydroxy-N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-2-oxo-2H-chromene-3-carboxamide
C23H15N3O4 (397.10625100000004)
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-
methyl 2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranoside
C15H27NO11 (397.15840319999995)
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
2-(3-Amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate
C18H20ClNO7 (397.09282400000006)
Abexinostat
C21H23N3O5 (397.16376280000003)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Rivoglitazone
C20H19N3O4S (397.1096214000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
24-Ethoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose
Bacillithiol(1-)
A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups and protonation of the amino group of bacillithiol; major species at pH 7.3.
8-Methylthiooctyl-desulfoglucosinolate
C16H31NO6S2 (397.15927059999996)
8-methylthiooctyldesulfoglucosinolate
C16H31NO6S2 (397.15927059999996)
Vanchrobactin
A catechol-type natural product that is composed of 2,3-dihydroxybenzoic acid, D-arginine and L-serine joined in sequence by peptide linkages. It is a siderophore synthesized by the bacterial fish pathogen Vibrio anguillarum.
1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O4S (397.1096214000001)
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose
2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
C20H19N3O4S (397.1096214000001)
N-[3-(4-phenyl-2-thiazolyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O4S (397.1096214000001)
N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide
C21H20ClN3O3 (397.11931200000004)
4-[4-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
C21H23N3O5 (397.16376280000003)
[4-(2-benzimidazolylidene)-3-imino-2-phenyl-1H-pyridazin-6-yl]-thiophen-2-ylmethanone
C22H15N5OS (397.09972600000003)
2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one
(5E)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-2-pyridinylbutanamide
N-(4-carbamoylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
6-Amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O4S (397.1096214000001)
Isonicotinic acid N-[1-[2-(4-fluoro-phenyl)-ethyl]-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
C21H20ClN3O3 (397.11931200000004)
2-hydroxy-N-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide
C18H15N5O4S (397.08447100000006)
2-[[2-[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
5-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-[(2-fluorophenoxy)methyl]-4-oxazolecarbonitrile
C21H20FN3O4 (397.14377720000005)
[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone
C21H20ClN3O3 (397.11931200000004)
4-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
2-amino-6-[(4-methoxyanilino)methylidene]-7-oxo-4-phenyl-4H-1-benzopyran-3-carbonitrile
3-[3-[4-(3-Chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone
C20H20ClN5O2 (397.13054500000004)
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
C21H23N3O5 (397.16376280000003)
2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
(2R)-(4-hydroxyphenyl)[(3S)-3-{[(2Z)-2-(4-hydroxyphenyl)-2-(oxidoimino)acetyl]amino}-2-oxoazetidin-1-yl]acetate
2-bromo-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
C20H20BrN3O (397.07896500000004)
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
[(2S,3S)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C19H22F3N3OS (397.14355980000005)
[(2R,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C19H22F3N3OS (397.14355980000005)
[(2S,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C19H22F3N3OS (397.14355980000005)
alpha-D-GlcNAc-(1->4)-D-GlcA
A carbohydrate acid derivative that consists of D-glucuronic acid having an N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate.
2-acetamido-2-deoxy-4-O-alpha-L-idopyranuronosyl-alpha-D-glucopyranose
2-(4-(4-Methoxyphenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
IC-87114
C22H19N7O (397.16510040000003)
beta-D-Galp-(1->4)-beta-D-GlcpNAc-OMe
C15H27NO11 (397.15840319999995)
A methyl glycoside that is beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy.
beta-D-GlcpA-(1->3)-beta-D-GalpNAc
An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a beta-D-glucuronosyl residue attached at the 3-position.
BE-54238A
An organic heteropentacyclic compound that is isolated from Streptomyces sp. A54238. It exhibits inhibitory efficacy against the growth of human tumour cells.
nocardicin E(2-)
A monocarboxylic acid anion obtained by deprotonation of the carboxy and oxime OH groups of nocardicin E. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-de(dimethylamino)-4-oxoanhydrotetracycline
A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.
beta-D-GlcpA-(1->3)-beta-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.
beta-D-Galp-(1->4)-alpha-D-GlcpNAc-OMe
C15H27NO11 (397.15840319999995)
A methyl glycoside that is beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy.
beta-D-GlcpA-(1->3)-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.
Benoxathian (hydrochloride)
C19H24ClNO4S (397.1114494000001)
Benoxathian hydrochloride is a potent α1 adrenoceptor antagonist, can be used for researching anorexia[1].
FAAH-IN-6
FAAH-IN-6 (compound 21d) is a potent, orally active and cross the blood-brain barrier fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 0.72, 0.28 nM for hFAAH, rFAAH, respectively. FAAH-IN-6 shows dose-dependent analgesic efficacy in animal models of both neuropathic and inflammatory pain[1].
HIF-1α-IN-2 (hydrochloride)
C21H20ClN3OS (397.1015540000001)
HIF-1α-IN-2 hydrochloride is an effective HIF-1α inhibitor with anticancer potencies (IC50s of 28 nM and 15 nM in MDA-MB-231 and MiaPaCa-2 cells, respectively). HIF-1α-IN-2 hydrochloride suppresses HIF-1α expression by blocking transcription and protein translation[1].
Sipagladenant
C20H19N3O4S (397.1096214000001)
Sipagladenant (Compound I) is an orally active adenosine receptor A2A inverse agonist[1]. Sipagladenant can be used in frontal lobe dysfunction research[2].
(3e)-3-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-6,7-dimethoxy-2-benzofuran-1-one
(1s,1's,5s,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO6 (397.12920740000004)
3-[4-(acetyloxy)-3-methoxyphenyl]-n-{2-[4-(acetyloxy)phenyl]ethyl}prop-2-enimidic acid
8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C21H19NO7 (397.11614640000005)
10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁹,²³]pentacosa-3(12),4(9),10,17(25),18,23-hexaene
(2r,3r,4s,5s,6r)-2-{2-hydroxy-3-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-6-iminopurin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,4e)-4-[(2z)-2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
C20H19N3O6 (397.12737940000005)
acutumine
C19H24ClNO6 (397.12920740000004)
{"Ingredient_id": "HBIN014665","Ingredient_name": "acutumine","Alias": "SMR001397290; MLS002473201; NCGC00247495-01; CHEMBL1716763; HMS2196C12; Acutumine","Ingredient_formula": "C19H24ClNO6","Ingredient_Smile": "CN1CCC23C1(CC(C24C(C(=CC4=O)OC)O)Cl)C(=C(C(=O)C3)OC)OC","Ingredient_weight": "397.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01252;SMIT03174","TCMID_id": "603","TCMSP_id": "MOL000619;MOL012908","TCM_ID_id": "7164","PubChem_id": "101286230","DrugBank_id": "NA"}
(2s,4s,5r,7s)-2,5-diamino-4-hydroxy-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}octanedioic acid
[12-hydroxy-3-(1-hydroxyethyl)-14-methyl-10-oxo-15-oxa-2-azapentacyclo[9.7.1.0²,⁶.0⁷,¹⁹.0¹³,¹⁸]nonadeca-1(18),6,8,11(19),12-pentaen-16-yl]acetic acid
(10e)-10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO7 (397.11614640000005)
5,6,15,16-tetramethoxy-11-azatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-3(8),4,6,14,16,18-hexaene-2,12-dione
1-{6-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-2-(4-methylphenyl)ethanamine
24-ethoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
(7s,8r)-7'-hydroxy-6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-yl acetate
4-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1,3-dimethyl-5-(methylsulfanyl)-2h-imidazol-2-yl
C19H17N4O4S (397.0970462000001)
23-(hydroxymethyl)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
(3s,4s,4ar,13bs)-7-chloro-3-hydroxy-4,13b-dimethyl-1h,2h,3h,4ah,5h,6h,8h-naphtho[2,1-b]carbazole-4-carboxylic acid
C23H24ClNO3 (397.14446240000007)
(5s,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO6 (397.12920740000004)
7-{2-[2-(dimethylamino)ethyl]-4,5-dimethoxyphenyl}-2h,7h-indeno[4,5-d][1,3]dioxole-6,8-dione
8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO6 (397.12920740000004)
2-{[1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-4-methoxy-6-methyloxane-3,5-diol
7'-hydroxy-6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-yl acetate
(1r)-10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁹,²³]pentacosa-3(12),4(9),10,17(25),18,23-hexaene
(1r,14s,24r)-24-ethoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
(2s)-2-{[(2r)-5-carbamimidamido-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxypentylidene]amino}-3-hydroxypropanoic acid
(12r,13s)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-yl acetate
1-(3-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O6 (397.12737940000005)
(10s)-10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO7 (397.11614640000005)
2-methoxy-3,5-dimethyl-6-[(2r,5z)-5-[(2e)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]oxolan-2-yl]pyran-4-one
(2s)-1-(3-{3-carboxy-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O6 (397.12737940000005)
10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(12),2(6),7,9-tetraen-12-ol
C21H19NO7 (397.11614640000005)
(1s)-1-[(1s)-6-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-2-(4-methylphenyl)ethanamine
(1s)-10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁹,²³]pentacosa-3(12),4(9),10,17(25),18,23-hexaene
2-[2-hydroxy-3-(4-hydroxy-3-methylbut-2-en-1-yl)-6-iminopurin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
1-[(12s)-17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaen-13-yl]ethanone
2-methoxy-3,5-dimethyl-6-{5-[2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]oxolan-2-yl}pyran-4-one
2,5-diamino-4-hydroxy-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}octanedioic acid
10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}(hydroxy)methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO7 (397.11614640000005)
1-{17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaen-13-yl}ethanone
6-[2-(1,4-dihydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-3-hydroxy-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O6S (397.13074980000005)
10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO7 (397.11614640000005)
(7r,9r,20r)-11-hydroxy-20-[(1s)-1-hydroxyethyl]-9-methyl-4,8-dioxa-21-azahexacyclo[10.9.1.0²,¹⁰.0³,⁷.0¹⁶,²².0¹⁷,²¹]docosa-10,12(22),14,16-tetraene-5,13-dione
(4e)-4-(2-{[1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
C20H19N3O6 (397.12737940000005)
(5s,6'r,8's)-6'-hydroxy-2,6,6',7,8,8'-hexahydro-2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl acetate
C21H19NO7 (397.11614640000005)
(2r)-3',4'-dichloro-6-hydroxy-1'-methyl-7-[(4s)-4-methylhexyl]spiro[1-benzofuran-2,2'-pyrrole]-3,5'-dione
C19H21Cl2NO4 (397.08475660000005)
2-methoxy-3,5-dimethyl-6-{4-[2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]oxolan-2-yl}pyran-4-one
(1s,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO6 (397.12920740000004)
(2s,4z)-4-(2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
C20H19N3O6 (397.12737940000005)
(1r,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO6 (397.12920740000004)
(1r,12s,13r,23s)-23-(hydroxymethyl)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
16-methyl-6,8,21,23-tetraoxa-16-azaheptacyclo[15.11.0.0²,¹⁴.0⁴,¹².0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]octacosa-1(17),2(14),3,5(9),10,12,18(26),19,24,27-decaen-15-one
C24H15NO5 (397.09501800000004)
6'-hydroxy-2,6,6',7,8,8'-hexahydro-2'h-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'-yl acetate
C21H19NO7 (397.11614640000005)
2,5-diamino-4-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}octanedioic acid
2-methoxy-3,5-dimethyl-6-[(4z)-4-[(2z)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]oxolan-2-yl]pyran-4-one
4,5-dimethoxy-13'-methyl-4',6',12'-trioxa-13'-azaspiro[2-benzofuran-1,11'-tetracyclo[7.6.0.0³,⁷.0¹⁰,¹⁴]pentadecane]-1',3'(7'),8'-trien-3-one
C21H19NO7 (397.11614640000005)
12-methyl-1,3-dioxo-4-phenyl-2-oxa-7,12-diazatetraphene-8-carboximidic acid
C23H15N3O4 (397.10625100000004)
(10r)-10-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxole-5-carbonyl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO7 (397.11614640000005)
(2e)-3-[4-(acetyloxy)-3-methoxyphenyl]-n-{2-[4-(acetyloxy)phenyl]ethyl}prop-2-enimidic acid
(2s,3s,4s,5r,6r)-2-{[(1r,2s)-1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-4-methoxy-6-methyloxane-3,5-diol
[(1s)-1-[(1r)-7-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-2-phenylethyl](methyl)amine
(4ar,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboximidic acid
(5r,8s,9r)-8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C21H19NO7 (397.11614640000005)
(1-{7-bromo-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-2-phenylethyl)(methyl)amine
(3s,8as)-3-{[(3r)-2,3-dihydroxy-7,7-dimethylchromeno[5,6-b]pyrrol-3-yl]methyl}-1-hydroxy-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
C21H23N3O5 (397.16376280000003)
(2r,3s,4r,5r)-2-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-2-(methylsulfanyl)purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
C16H23N5O5S (397.14198280000005)