Exact Mass: 397.1597
Exact Mass Matches: 397.1597
Found 500 metabolites which its exact mass value is equals to given mass value 397.1597
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
acutumine
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.
Apatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Simulansamide
Simulansamide is found in fruits. Simulansamide is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper
Navarixin
Apatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone
CI-1044
2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
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
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Radiprodil
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].
Reduced ketanserin
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
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
Vilmorrianone
A natural product found in Aconitum vilmorinianum and Delphinium denudatum.
methyl 2-[1-(4-fluorobenzyl)-1h-indazole-3-carboxamido]-3,3-dimethylbutanoate
(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
(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
(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
C19H27NO8_2-(4,5-Dihydroxy-7,7a-dimethyl-2-oxo-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-1a(2H)-yl)-2-propen-1-yl 4-amino-2,3-dihydroxybutanoate
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
Ala Gly Asn His
Ala His Gly Asn
Ala His Asn Gly
Ala Asn Gly His
Ala Asn His Gly
Ala Asn Pro Pro
Ala Pro Asn Pro
Ala Pro Pro Asn
Gly Ala His Asn
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 Pro Pro Gln
Gly Pro Gln Pro
Gly Gln Gly His
Gly Gln His Gly
Gly Gln Pro Pro
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
Asn Ala Pro Pro
Asn Gly Ala His
Asn Gly His Ala
Asn His Ala Gly
Asn His Gly Ala
Asn Pro Ala Pro
Asn Pro Pro Ala
Pro Ala Asn Pro
Pro Ala Pro Asn
Pro Gly Pro Gln
Pro Gly Gln Pro
Pro Asn Ala Pro
Pro Asn Pro Ala
Pro Pro Ala Asn
Pro Pro Gly Gln
Pro Pro Asn Ala
Pro Pro Gln Gly
Pro Gln Gly Pro
Pro Gln Pro Gly
Gln Gly Gly His
Gln Gly His Gly
Gln Gly Pro Pro
Gln His Gly Gly
Gln Pro Gly Pro
Gln Pro Pro Gly
Dibutanoyllecithin
Dibutyroyl lecithin
(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
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
[(1S)-1-(5-Fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]carbamic acid 1,1-dimethylethyl ester
Chromonar hydrochloride
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
4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxy]butanoic acid
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thien[3,2-c]pyridinone
3-(2,2-diphenylethyl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole,hydrochloride
1,4-bis(phenylmethoxycarbonyl)piperazine-2-carboxylate
2-[4-[2-hydroxy-2-(3-phenoxypropylamino)ethoxy]phenoxy]acetic acid,hydrochloride
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
H-Ala-Pro-AFC
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
4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
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].
4,5,6,7-Tetrahydro-5-(triphenylmethyl)-thieno[3,2-c]pyridin-2(3H)-one
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
FMOC-(3S,4S, 5S)-4-AMINO-3-HYDROXY-5-METHYL HEPTANOIC ACID
6,7-dimethoxy-1-(3,4,5-triethoxyphenyl)isoquinoline
2,6-bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)pyridine
1-[(2-Cyano-4-biphenylyl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic acid
6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine
N-([1,1-biphenyl]-4-yl)-[1,1:4,1-terphenyl]-4-amine
β-D-Glucopyranose, 1,6-anhydro-2-azido-2-deoxy-4-O-[(4-Methoxyphenyl)Methyl]-3-O-(phenylMethyl)-
ETHYL 5-((7-ETHOXY-7-OXOHEPTYL)OXY)-4-METHOXY-2-NITROBENZOATE
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
Butanoic acid, 3-(1,1-dimethylethoxy)-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(thian-4-yl)acetic acid
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
3-[5-(1h-Imidazol-1-Yl)-7-Methyl-1h-Benzimidazol-2-Yl]-4-[(Pyridin-2-Ylmethyl)amino]pyridin-2(1h)-One
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
Platensimycin B3
A polycyclic cage that is the decarboxy derivative of platensimycin. It is isolated from Streptomyces platensis.
7-Hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester
2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-
methyl 2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-alpha-D-glucopyranoside
2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
(2S)-4-(2,5-Difluorophenyl)-N-methyl-2-phenyl-N-piperidin-4-YL-2,5-dihydro-1H-pyrrole-1-carboxamide
2-{4-[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-D]pyrimidin-5-YL)-ethyl]-benzoylamino}-3-methyl-butyric acid
Abexinostat
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy 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
Reduced ketanserin
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.
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose
N-[3-(4-phenyl-2-thiazolyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide
4-[4-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one
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
2-(4-Ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine
2-[[4,6-Bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-1-phenylethanone
4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-N-(3-methoxyphenyl)acetamide
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
[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone
2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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
4-cinnamyl-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide
3-[3-[4-(3-Chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone
N-[2-(4-morpholinyl)ethyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
4-(2-Fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamide
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
(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
1-[2-[[(3,4-Difluoroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
3-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
(3Z)-1-(4-benzoylpyridin-1-ium-1-yl)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]pyridine-3-carboxamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]pyridine-3-carboxamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
(1R,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(2S,3S)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
(1R,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
[(2R,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
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-(3,4-dimethylphenyl)-N-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]quinoline-4-carbohydrazide
(4S)-6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)quinazolin-4-ol
2-(4-(4-Methoxyphenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid
N-[[(3,4-Dihydro-6-methoxy-2,5,7,8-tetramethyl-2H-1-benzopyran)-2-yl]acetyl]anthanilic acid
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] octanoate
(2-Pentanoyloxy-3-propanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
(3-Acetyloxy-2-hexanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] heptanoate
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexanoate
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
beta-D-Galp-(1->4)-beta-D-GlcpNAc-OMe
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.
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
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.
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].
N-Demethyl MK-6884
N-Demethyl MK-6884 (compound 34) is a potent M4 mAChR allosteric modulator. N-Demethyl MK-6884 can be used in the studies of alzheimer's disease and other diseases mediated by the M4 mAChR[1].
(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
3-[4-(acetyloxy)-3-methoxyphenyl]-n-{2-[4-(acetyloxy)phenyl]ethyl}prop-2-enimidic acid
(3z,7z,9s,12r,14r)-12-hydroxy-14-[(2s)-2-hydroxy-2-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]ethyl]-4,9-dimethyl-1-oxacyclotetradeca-3,7-dien-2-one
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
acutumine
{"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"}