Exact Mass: 321.1939982
Exact Mass Matches: 321.1939982
Found 338 metabolites which its exact mass value is equals to given mass value 321.1939982,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phenazocine, (-)-
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AD - Benzomorphan derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
6-Oxoparomamine
C12H23N3O7 (321.15359279999996)
Homodihydrocapsaicin
Homodihydrocapsaicin is a member of methoxybenzenes and a member of phenols. Homodihydrocapsaicin is a natural product found in Capsicum annuum var. annuum, Capsicum annuum, and Phylica pubescens with data available. See also: Capsicum (part of); Paprika (part of); Habanero (part of) ... View More ... Isolated from the pungent principle of red pepper (Capsicum annuum). Homodihydrocapsaicin is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, pepper (c. frutescens), and green bell pepper. Homodihydrocapsaicin is found in herbs and spices. Homodihydrocapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum Homodihydrocapsaicin I is a kind of capsaicinoid from the fruits of?Capsicum annuum[1]. Homodihydrocapsaicin I is a kind of capsaicinoid from the fruits of?Capsicum annuum[1].
Arginylphenylalanine
C15H23N5O3 (321.18008080000004)
Arginylphenylalanine is a dipeptide composed of arginine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Phenylalanylarginine
C15H23N5O3 (321.18008080000004)
Phenylalanylarginine is a dipeptide composed of phenylalanine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
N-desmethylalmotriptan
N-desmethylalmotriptan is a metabolite of almotriptan. Almotriptan, is a triptan drug discovered and developed by Almirall for the treatment of heavy migraine headache. It is available in 12.5 mg in most countries and also 6.25 mg in US and Canada. (Wikipedia)
3-[[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
N-Methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
Gabexate
C16H23N3O4 (321.16884780000004)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
5-((1-Ethyl-4-piperidinyl)oxy)-9H-pyrrolo(2,3-b:5,4-c')dipyridine-6-carbonitrile
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Impromidine
C14H23N7S (321.17355580000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists
Phenazocine
(2S)-2-(2-Benzamidoethylamino)-5-(diaminomethylideneamino)pentanoic acid
C15H23N5O3 (321.18008080000004)
Croomine
A natural product found particularly in Stemona tuberosa and Stemona phyllantha.
RCS-4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
2-[4-(Diethylamino)styryl]-5-nitrobenzonitrile
C19H19N3O2 (321.14771939999997)
N-Benzyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)urea
C19H19N3O2 (321.14771939999997)
gabexate
C16H23N3O4 (321.16884780000004)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
C19H19N3O2 (321.14771939999997)
6-O-beta-D-glucopyranosyl-1,2,3-trideoxy-1-C-ethyl-beta-galactonojirimycin
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylbenzamide
3-(2,3-Dihydroxy-3-methylbutyl)-4,7-dimethoxy-1-methyl-1H-quinoline-2-one
(-)-sessilifoliamide J|(?)-sessilifoliamide J|sessilifoliamide J
(5beta,15R)-15-hydroxy-15-methyl-8-oxolycopodan-5-yl acetate|obscurumine G
(3-endo,8-anti)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-3,5-dimethoxybenzoate|pungencine
Leelamine HCl
Leelamine hydrochloride is a tricyclic diterpene molecule that is extracted from the bark of pine trees[1]. Leelamine hydrochloride is a cannabinoid receptor type 1 (CB1) agonist and a inhibitor of SREBP1-regulated fatty acid/lipid synthesis in prostate cancer cells that is not affected by androgen receptor status. Leelamine hydrochloride suppresses transcriptional activity of androgen receptor, which is known to regulate fatty acid synthesis[2,3]. Leelamine hydrochloride is a tricyclic diterpene molecule that is extracted from the bark of pine trees[1]. Leelamine hydrochloride is a cannabinoid receptor type 1 (CB1) agonist and a inhibitor of SREBP1-regulated fatty acid/lipid synthesis in prostate cancer cells that is not affected by androgen receptor status. Leelamine hydrochloride suppresses transcriptional activity of androgen receptor, which is known to regulate fatty acid synthesis[2,3].
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
Rimcazole
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 D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based on: CCMSLIB00000849085]
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide [IIN-based: Match]
(7R,E)-8-((7R,8R,E)-7,8-dihydroxy-8-methylhexahydroindolizin-6(5H)-ylidene)-4,7-dimethyloct-4-en-3-one
Arg-phe
C15H23N5O3 (321.18008080000004)
A dipeptide formed from L-arginine and L-phenylalanine residues. It exhibits vasorelaxant activity.
Phe-arg
C15H23N5O3 (321.18008080000004)
A dipeptide composed of L-phenylalanine and L-arginine joined by a peptide linkage.
Homodihydrocapsaicin
Homodihydrocapsaicin I is a kind of capsaicinoid from the fruits of?Capsicum annuum[1]. Homodihydrocapsaicin I is a kind of capsaicinoid from the fruits of?Capsicum annuum[1].
3-Hydroxy-N-(1-hydroxy-4-methyl-2-pentanyl)-5-oxo-6-phenylhexanamide
N-(3S,4S-methylene-decanoyl) histidine
C17H27N3O3 (321.20523119999996)
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
Tetrabutylammonium bromide
C16H36BrN (321.20309560000004)
D013501 - Surface-Active Agents > D003902 - Detergents
(z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
Arginine glutamate
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05B - Liver therapy, lipotropics > A05BA - Liver therapy L-Arginine L-glutamate ((S)-(+)-Arginine L-glutamate) is the nitrogen donor for synthesis of nitric oxide. L-Arginine L-glutamate can be used for upper gastrointestinal hypofunction or dysfunction like functional dyspepsia research[1]. L-Arginine L-glutamate ((S)-(+)-Arginine L-glutamate) is the nitrogen donor for synthesis of nitric oxide. L-Arginine L-glutamate can be used for upper gastrointestinal hypofunction or dysfunction like functional dyspepsia research[1].
1-boc-4-(carboxy-pyridin-4-yl-methyl)-piperazine
C16H23N3O4 (321.16884780000004)
DODECYL 2-(DIMETHYLAMINO)PROPANOATE HYDROCHLORIDE
C17H36ClNO2 (321.24344260000004)
Ethybenztropine
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AC - Ethers of tropine or tropine derivatives C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
(3-BOC-AMINO-PIPERIDIN-1-YL)-THIOPHEN-3-YL-ACETICACID
C16H23N3O4 (321.16884780000004)
2-(2-(4-AMINOPIPERIDIN-1-YL)-2-PHENYLETHOXY)BENZONITRILE
(6-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)-5-METHYLPYRIDIN-3-YL)BORONIC ACID
2-(Homopiperidin-1-yl)pyrimidine- 5-boronic acid pinacol ester
C16H28BN3O3 (321.22236080000005)
9-(6-methoxynaphthalen-2-yl)-3-methyl-3-azaspiro[5.5]undec-9-ene
Sequifenadine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
3-amino-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
C16H23N3O4 (321.16884780000004)
4-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]oxy}benzoic acid
2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
C16H23N3O4 (321.16884780000004)
6-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
C16H23N3O4 (321.16884780000004)
2-BOC-AMINO-6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
4-(4-nitrobenzoyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy
1-(3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine
C17H25BClNO2 (321.16667700000005)
2-(4-BOC-PIPERAZINYL)-2-(3-PYRIDINYL)ACETIC ACID
C16H23N3O4 (321.16884780000004)
4-chloro-N-(2-hydroxyethyl)-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]benzamide
4-(5-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H23N3O4 (321.16884780000004)
(3-BOC-AMINO-PIPERIDIN-1-YL)-THIOPHEN-2-YL-ACETICACID
C16H23N3O4 (321.16884780000004)
2-(1,1-diethoxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C17H28BNO4 (321.21112780000004)
4-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
C17H25BFNO3 (321.19114220000006)
2-(tert-Butoxycarbonylamino)pyrimidine-5-boronic acid pinacol ester
N-Hexyl-N,N-dimethyl-1-octanaminium bromide
C16H36BrN (321.20309560000004)
4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Sodium N-tetradecanoyl-L-alaninate
C17H32NNaO3 (321.22797620000006)
Tazofelone
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
8-METHYL-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINEHYDROCHLORIDE
4-(diisopropylamino)-2-phenyl-2-(2-pyridyl)-butyronitrile
(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid
TERT-BUTYL 4-(3-NITROBENZYL)PIPERAZINE-1-CARBOXYLATE
C16H23N3O4 (321.16884780000004)
1-benzyl-4-(1,2,3,4-tetrahydro-2-oxo-3-quinazolinyl)piperidine
TRANS-1-BOC-3-CARBOXY-4-(4-METHOXYPHENYL)PYRROLIDINE
6-Amino-1-isopropyl-4-(4-isopropylphenyl)-2(1H)-quinazolinone
3-AMINO-6-((DIBENZYLAMINO)METHYL)-1,2,4-TRIAZIN-5(2H)-ONE
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
3-(2-(1,3-DIOXOLAN-2-YL)ETHYL)-7,8-DIMETHOXY-4,5-DIHYDRO-1H-BENZO[D]AZEPIN-2(3H)-ONE
tert-butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate
C16H23N3O4 (321.16884780000004)
TERT-BUTYL4-(2-NITROPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE
C16H23N3O4 (321.16884780000004)
tert-butyl 2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethylcarbamate
4-(1-Pyrazin-2-yl-ethoxyMethyl)-piperidine-1-carboxylic acid tert-butyl ester
C17H27N3O3 (321.20523119999996)
Pentazocine hydrochloride
C19H28ClNO (321.18593080000005)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002491 - Central Nervous System Agents > D000700 - Analgesics
2-amino-4-cyclohexyl-3-nitro-6-phenylbenzonitrile
C19H19N3O2 (321.14771939999997)
N,N-Diethyl-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
C17H25BFNO3 (321.19114220000006)
4-(2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
C17H25BFNO3 (321.19114220000006)
4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
C17H25BFNO3 (321.19114220000006)
N-Ethyl-N,N-dimethyl-1-dodecanaminium bromide
C16H36BrN (321.20309560000004)
N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide
4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
C16H23N3O4 (321.16884780000004)
4-(3-carboxy-pyridin-2-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
C16H23N3O4 (321.16884780000004)
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylicacid
tert-Butyl (1-(2-nitrophenyl)piperidin-4-yl)carbamate
C16H23N3O4 (321.16884780000004)
tert-butyl 4-(2-methyl-4-nitrophenyl)piperazine-1-carboxylate
C16H23N3O4 (321.16884780000004)
4,5,6,7-Tetrahydro-3-((3-methoxy-5-(1H-pyrrol-2-yl)2H-pyrrol-2-ylidene)methyl)-1,4-dimethyl-2H-isoindole
(E)-1-(2-hydroxyphenyl)-3-((1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-one
C19H19N3O2 (321.14771939999997)
N-[5-(2-phenylethyl)-1,3,5-triazinan-2-ylidene]-1,3-benzoxazol-2-amine
6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
C19H19N3O2 (321.14771939999997)
(+)-Phenazocine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AD - Benzomorphan derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one
6-(3-Aminopropyl)-4,9-dimethylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
C19H19N3O2 (321.14771939999997)
2-Amino-3-(2,2-dimethylpropyl)-5,5-diphenylimidazol-4-one
N-Methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide
monacolin L carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of monacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(7-methoxynaphthalen-1-yl)methanone
(2S)-2-(2-Benzamidoethylamino)-5-(diaminomethylideneamino)pentanoic acid
C15H23N5O3 (321.18008080000004)
1-[2-(Hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol
C19H19N3O2 (321.14771939999997)
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
2-amino-3-cyano-7-(dimethylamino)-4-(2-methoxyphenyl)-4H-chromene
C19H19N3O2 (321.14771939999997)
(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid
2-[[(1-Propan-2-yl-2-benzimidazolyl)amino]methyl]-6-prop-2-enylphenol
19-HETrE(1-)
An (omega-1)-hydroxy fatty acid anion that is the conjugate base of 19-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
20-HETrE(1-)
An omega-hydroxy fatty acid anion that is the conjugate base of 20-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N(6)-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
A D-lysine derivative in which D-lysine is substituted on N(6) by a (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl group.
5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
1-[2-(3,4-Dimethoxyphenyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
1-(2,5-Dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone
C19H19N3O2 (321.14771939999997)
3-[4-[(2-Hydroxy-5-phenylphenyl)methyl]-1-piperazinyl]propanenitrile
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate
N-{5-fluoro-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
C16H20FN3O3 (321.14886220000005)
1,3-Bis[4-(dimethylamino)phenyl]-2,4-dioxylatocyclobutene-3,4-diylium
2-[(1R,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(5S,6R,9R)-14-amino-5-methoxy-3,6,9-trimethyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
C17H27N3O3 (321.20523119999996)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
4-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide
12(S)-HETrE(1-)
An icosanoid anion anion that is the conjugate base of 12(S)-HETrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
(3S,4S)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
(3R,4R)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
4-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
4-[(5-Methylpyrazolidin-3-YL)amino]-2-phenylphthalazin-1-one
4-methyl-5-[(2S)-2-methyl-1,4-diazepan-4-ium-1-sulfonyl]isoquinolin-2-ium
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
C19H19N3O2 (321.14771939999997)
N,N-Bis(tert-butyldimethylsilyl)aniline
C18H35NSi2 (321.23079100000007)
Phenazocine, (-)-
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AD - Benzomorphan derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
15-oxo-EDE(1-)
A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-EDE.
CM10
CM10 is a potent and selective aldehyde dehydrogenase 1A (ALDH1A) family inhibitor, with IC50s of 1700, 740, and 640 nM for ALDH1A1, ALDH1A2, and ALDH1A3, respectively. CM10 does not inhibit any of the other ALDH family members. CM10 can regulate metabolism and has anti-cancer activity[1].
VU0080241
VU0080241 is a positive allosteric modulator (PAM) of the metabotropic glutamate receptor subtype 4 (mGluR4), with an EC50 of 4.6 μM[1].
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-4-methylpent-2-enamide
C16H23N3O4 (321.16884780000004)
(1s,2s,3s,10s,13s,15r)-2-hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-3-yl acetate
5-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidene-1h-pyrazin-2-one
C19H19N3O2 (321.14771939999997)
(3z)-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidenepyrazine-2,5-diol
C19H19N3O2 (321.14771939999997)
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-4-methylpent-3-enamide
C16H23N3O4 (321.16884780000004)
(1s,3e,5r)-3-[2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethylidene]-1,5-dimethyl-4-oxocyclohexyl acetate
n-[2-hydroxy-1-(5-hydroxy-6-methyloxan-2-yl)pyrimidin-4-ylidene]-4-methylpent-3-enamide
C16H23N3O4 (321.16884780000004)
3-[2-(dimethylamino)phenyl]-3-hydroxy-1h,2h-pyrrolo[2,1-b]quinazolin-9-one
C19H19N3O2 (321.14771939999997)
(1r,4e)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
3-methoxy-2-methyl-6-(11-oxododecyl)-1h-pyridin-4-one
10-{[2-(4-hydroxyphenyl)ethyl]imino}-7-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-trien-11-one
C19H19N3O2 (321.14771939999997)
(5r)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11(17)-ene-3,8-dione
(2r,3s,4r,5r)-2-{[(1s,2r,3r,4s,6r)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
methyl 5-(11-hydroxydodecyl)pyridine-2-carboxylate
3,3'-bis(indolylmethyl)dimethyl ammonium hydroxide
{"Ingredient_id": "HBIN007160","Ingredient_name": "3,3'-bis(indolylmethyl)dimethyl ammonium hydroxide","Alias": "3,3'-bis(indolylmethyl)dimethyl ammoniumhydroxide","Ingredient_formula": "C20H23N3O","Ingredient_Smile": "C[N+](C)(CC1=CNC2=CC=CC=C21)CC3=CNC4=CC=CC=C43.[OH-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30672;2472","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-angeloyl-9-(2-methylbutyryl)heliotridine
{"Ingredient_id": "HBIN013050","Ingredient_name": "7-angeloyl-9-(2-methylbutyryl)heliotridine","Alias": "NA","Ingredient_formula": "C18H27NO4","Ingredient_Smile": "CCC(C)C(=O)OCC1=CCN2C1C(CC2)OC(=O)C(=CC)C","Ingredient_weight": "321.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37196","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91748012","DrugBank_id": "NA"}
2-hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-3-yl acetate
n-[(4-hydroxy-3-methoxyphenyl)methyl]undecanimidic acid
11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undec-10-enoic acid
(5s)-2-(hydroxymethyl)-3-methoxy-5-octyl-5,6,7,8-tetrahydro-1h-quinolin-4-one
(2e,4e,6e,8s)-1-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]-8-methoxy-6-methyldodeca-2,4,6-trien-1-one
(1r,4z,6r,7r,17s)-4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
3-[(2r)-2,3-dihydroxy-3-methylbutyl]-4,8-dimethoxy-1-methylquinolin-2-one
2-[(2r,6s)-6-(2-oxo-2-phenylethyl)piperidin-2-yl]-1-phenylethanone
(1s,7ar)-7-({[(2r)-2-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
8-methyl-3-[(2-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 2-methylbut-2-enoate
4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
(2e,6z,8e)-10-[(3-methylbutanoyl)oxy]-n-(2-methylpropyl)deca-2,6,8-trienimidic acid
4-ethylidene-7-hydroxy-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
2-[(4,6-diamino-2,3-dihydroxycyclohexyl)oxy]-5-methyl-4-(methylamino)oxane-3,5-diol
10-{[2-(4-hydroxyphenyl)ethyl]amino}-7-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,8(12),9-tetraen-11-one
C19H19N3O2 (321.14771939999997)
n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldecanimidic acid
(3s,4'r,8s,8as)-4'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-hexahydrospiro[indolizine-8,2'-oxolane]-5,5'-dione
(2r,3s)-2-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-3-methylpentanoic acid
(2r,3's,4r,9'ar)-4-methyl-3'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
2-[6-(2-oxo-2-phenylethyl)piperidin-2-yl]-1-phenylethanone
(3r)-3-[2-(dimethylamino)phenyl]-3-hydroxy-1h,2h-pyrrolo[2,1-b]quinazolin-9-one
C19H19N3O2 (321.14771939999997)
(z,5e)-5-[(3,7-dimethyl-4,5,6,7-tetrahydro-2h-isoindol-1-yl)methylidene]-4-methoxy-1h-2,2'-bipyrrolylidene
3-(2,3-dihydroxy-3-methylbutyl)-4,7-dimethoxy-1-methylquinolin-2-one
(1s,2s,4s,5s,6s,9s)-2-hydroxy-4-methyl-8-oxo-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadecan-5-yl acetate
(8s)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldecanimidic acid
methyl (11s,14s,16r,18s)-13-ethylidene-1-azapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
(1s,2s,4s,5r,6s,9s)-2-hydroxy-4-methyl-8-oxo-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadecan-5-yl acetate
methyl (11s,13e,14s,16r,18s)-13-ethylidene-1-azapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
methyl 5-[(5s)-1h,2h,3h,4h,5h,6h-azepino[4,5-b]indol-5-yl]pyridine-3-carboxylate
C19H19N3O2 (321.14771939999997)
(1r,3r,5s,6r)-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2e)-2-methylbut-2-enoate
9-hydroxy-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid
1-[(3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)-4,5-dihydropyrrol-3-yl]dodeca-2,4,6,10-tetraen-1-one
(5z)-5-[(3,7-dimethyl-4,5,6,7-tetrahydro-2h-isoindol-1-yl)methylidene]-4-methoxy-1'h-2,2'-bipyrrole
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-methoxy-6-methyldodeca-2,4,6-trien-1-one
3-[(2s)-2,3-dihydroxy-3-methylbutyl]-4,8-dimethoxy-1-methylquinolin-2-one
(1r,3e,5r)-3-[2-(2-hydroxy-6-oxo-4,5-dihydro-3h-pyridin-4-yl)ethylidene]-1,5-dimethyl-4-oxocyclohexyl acetate
(3e)-1-[(2e)-5-butyl-4-hydroxy-5h-1,3-oxazol-2-ylidene]-4-methylundec-3-en-2-one
(2r,4s,4as,9s,11ar,13as)-4-hydroxy-9-[(2s)-2-hydroxypropyl]-2-methyl-dodecahydroindeno[3a,3-i]indolizin-12-one
(5s)-5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),7(11),9,13(18),19-hexaene
(1s,3r,5r,6s)-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2e)-2-methylbut-2-enoate
5-[(3,7-dimethyl-4,5,6,7-tetrahydro-2h-isoindol-1-yl)methylidene]-4-methoxy-1'h-2,2'-bipyrrole
n-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanimidic acid
2-{[(6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl)(hydroxy)methylidene]amino}-3-methylpentanoic acid
3-(2,3-dihydroxy-3-methylbutyl)-4,8-dimethoxy-1-methylquinolin-2-one
4'-methyl-3-(4-methyl-5-oxooxolan-2-yl)-hexahydrospiro[indolizine-8,2'-oxolane]-5,5'-dione
3-[(2s)-2,3-dihydroxy-3-methylbutyl]-4,7-dimethoxy-1-methylquinolin-2-one
(2r,3r)-2-({[(3as,6r,7as)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl](hydroxy)methylidene}amino)-3-methylpentanoic acid
10-{[2-(4-hydroxyphenyl)ethyl]amino}-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
C19H19N3O2 (321.14771939999997)
(2e,4e,6e)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-8-methoxy-6-methyldodeca-2,4,6-trien-1-one
n-[2-(2,2-dimethylchromen-6-yl)ethyl]-n-methylbenzamide
(10e)-11-[5-(c-hydroxycarbonimidoyl)-4-oxopyran-2-yl]undec-10-enoic acid
(6e,8r)-9-hydroxy-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid
4-hydroxy-9-(2-hydroxypropyl)-2-methyl-dodecahydroindeno[3a,3-i]indolizin-12-one
1-[2,3,4-trihydroxy-5-(hydroxymethyl)-4,5-dihydropyrrol-3-yl]dodeca-2,4,6,10-tetraen-1-one
(2e,5s,6s)-5-hydroxy-6-({3-hydroxy-4-[(1-hydroxyethylidene)amino]phenyl}methyl)oct-2-enoic acid
(5r)-3-methyl-5-[(2r)-1-{4-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]butyl}pyrrolidin-2-yl]-5h-furan-2-one
(8e)-10-[(3-methylbutanoyl)oxy]-n-(2-methylpropyl)deca-2,6,8-trienimidic acid
(6e,8s)-9-hydroxy-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid
(2r,4s,4as,9s,13as)-4-hydroxy-9-[(2s)-2-hydroxypropyl]-2-methyl-dodecahydroindeno[3a,3-i]indolizin-12-one
3-methyl-5-{1-[4-(4-methyl-5-oxooxolan-2-yl)butyl]pyrrolidin-2-yl}-5h-furan-2-one
n-[2-hydroxy-1-(5-hydroxy-6-methyloxan-2-yl)pyrimidin-4-ylidene]-4-methylpent-2-enamide
C16H23N3O4 (321.16884780000004)
methyl 5-{1h,2h,3h,4h,5h,6h-azepino[4,5-b]indol-5-yl}pyridine-3-carboxylate
C19H19N3O2 (321.14771939999997)