Exact Mass: 340.1773
Exact Mass Matches: 340.1773
Found 500 metabolites which its exact mass value is equals to given mass value 340.1773,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pentamidine
Pentamidine is only found in individuals that have used or taken this drug. It is an antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of pneumocystis pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. [PubChem]The mode of action of pentamidine is not fully understood. It is thought that the drug interferes with nuclear metabolism producing inhibition of the synthesis of DNA, RNA, phospholipids, and proteins. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Propiomazine
Propiomazine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, propiomazine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT2) receptors. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane
Potential food contaminant arising from its use in epoxy resin coatings for cans, concrete vats and tanks, etc. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5810 D009676 - Noxae > D002273 - Carcinogens
Mepenzolate
Mepenzolate is a post-ganglionic parasympathetic inhibitor. It decreases gastric acid and pepsin secretion and suppresses spontaneous contractions of the colon. Mepenzolate diminishes gastric acid and pepsin secretion. Mepenzolate also suppresses spontaneous contractions of the colon. Pharmacologically, it is a post-ganglionic parasympathetic inhibitor. It has not been shown to be effective in contributing to the healing of peptic ulcer, decreasing the rate of recurrence, or preventing complications. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
3-Hydroxyquinine
3-Hydroxyquinine is a major metabolite of quinine. The formation of 3-hydroxyquinine is catalysed by cytochrome P450 3A4. [HMDB] 3-Hydroxyquinine is a major metabolite of quinine. The formation of 3-hydroxyquinine is catalysed by cytochrome P450 3A4.
Methantheline
Methantheline is a synthetic antispasmodic. Antispasmodics are used to relieve cramps or spasms of the stomach, intestines, and bladder. Methantheline is used to treat intestine or stomach ulcers (peptic ulcer disease), intestine problems (irritable bowel syndrome), pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, or urinary problems (reflex neurogenic bladder in children). A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Lucanthone
Lucanthone is only found in individuals that have used or taken this drug. It is one of the schistosomicides, it has been replaced largely by hycanthone and more recently praziquantel. (From Martindale The Extrapharmacopoeia, 30th ed., p46). It is currently being tested as a radiation sensitizer.Recent data suggests that lucanthone inhibits post-radiation DNA repair in tumor cells. The ability of lucanthone to inhibit AP endonuclease and topoisomerase II probably account for the specific DNA repair inhibition in irradiated cells. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Citalopram N-oxide
Citalopram N-oxide is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)
pentamidine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent [Raw Data] CB201_Pentamidine_pos_50eV_isCID-10eV_rep000006.txt [Raw Data] CB201_Pentamidine_pos_40eV_isCID-10eV_rep000006.txt [Raw Data] CB201_Pentamidine_pos_30eV_isCID-10eV_rep000006.txt [Raw Data] CB201_Pentamidine_pos_20eV_isCID-10eV_rep000006.txt [Raw Data] CB201_Pentamidine_pos_10eV_isCID-10eV_rep000006.txt KEIO_ID P209; [MS2] KO009179 KEIO_ID P209; [MS3] KO009180 KEIO_ID P209
4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan
4,7-Dihydroxy-2-methoxy-3-prenylisoflavan is found in cowpea. 4,7-Dihydroxy-2-methoxy-3-prenylisoflavan is isolated from stems of Vigna unguiculata as a phytoalexin. Isolated from stems of Vigna unguiculata as a phytoalexin. 4,7-Dihydroxy-2-methoxy-3-prenylisoflavan is found in pulses and cowpea.
2',4'-Dihydroxy-7-methoxy-8-prenylflavan
2,4-Dihydroxy-7-methoxy-8-prenylflavan is found in fruits. 2,4-Dihydroxy-7-methoxy-8-prenylflavan is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). 2,4-Dihydroxy-7-methoxy-8-prenylflavan is found in fruits.
5-Deoxymyricanone
5-Deoxymyricanone is found in fruits. 5-Deoxymyricanone is isolated from bacterial galls of Myrica rubra (Chinese bayberry
11-Hydroxytubotaiwine
11-Hydroxytubotaiwine is an alkaloid from cultured cells of Aspidosperma quebracho-blanco (quebracho). Alkaloid from cultured cells of Aspidosperma quebracho-blanco (quebracho)
2',7-Dihydroxy-4'-methoxy-8-prenylflavan
2,7-Dihydroxy-4-methoxy-8-prenylflavan is found in fruits. 2,7-Dihydroxy-4-methoxy-8-prenylflavan is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). 2,7-Dihydroxy-4-methoxy-8-prenylflavan is found in fruits.
1,1'-Spirobi[1H-indene]-5,5',6,6'-tetrol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-
19,20-(E)-Vallesamine
3-[2-(3-Guanidino-2-methyl-3-oxo-propenyl)-5-methyl-phenyl]-N-isopropylidene-2-methyl-acrylamide
3-hydroxyquinidine
5-Chloro-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide
1-[3-(1,3-Benzodioxol-5-yloxy)propyl]-4-phenylpiperazine
[[(1S,2S,5R)-5-Methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
Glycyl-l-histidyl-l-lysine
2,4(1H,3H)-Pyrimidinedione, 1-(cyclopropylmethyl)-6-(3,5-dimethylbenzoyl)-5-(1-methylethyl)-
Propionylpromazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Quinidine N-oxide
1-[6-(2-Carboxypyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
3-Hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid
3-hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid, also known as amorfrutin a, is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 3-hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 3-hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid can be found in pigeon pea, which makes 3-hydroxy-4-isopentenyl-5-methoxybibenzyl-2-carboxylic acid a potential biomarker for the consumption of this food product. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3,5-Dihydroxy-2-methoxycarbonyl-6-(3-methyl-2-butenyl)bibenzyl
2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran
5-Acetoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone.
yohimbinic acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.445 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.442 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.437 Yohimbic acid is an amphoteric demethylated derivative of Yohimbine. Yohimbic acid exhibits vasodilatory action. Yohimbic acid also can be used for the research of osteoarthritis (OA)[1][2][3].
Propionylpromazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Poldine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds
Acuminatin
A neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively.
21-O-methylleuconolam|leuconolam methyl ether|O-methylleuconolam
1-(1,3-Benzodioxole-5-yl)-2,3-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene
monomehtyl dehydrodieugenol|O-methyldehydrodieugenol|O-Methylkdehydrodieugenol
Vallesamine
19,20-(E)-Vallesamine is a natural product found in Tabernaemontana citrifolia, Alstonia rostrata, and Alstonia scholaris with data available.
Acetic acid 2-prenyl-4-[2-(3,5-dihydroxyphenyl)ethyl]phenyl ester
alpha-o-methylbotrydialone|alpha-O-methyldihydrobotrydialone
1, 2:4, 5-Di-O-cyclohexylidene-beta-D-Pyranose-Fructose
4-(Hydroxy((1S)-5-vinylquinuclidin-2-yl)methyl)-6-methoxyquinolin-2(1H)-one
11-dehydro-2,3-dinor Thromboxane B2
(3E)-3,4-dihydro-3-[(2E)-4-methoxy-4-methylpent-2-en-1-ylidene]-4,6-dimethyl-2H,5H-pyrano[2,3-b] [1]benzopyran-5-one|gerdelavin B
10-Hydroxy-16-epiaffinine
1beta,4beta-dihydroxy-8beta-acetoxy-5alphaH-eudesma-11(13)-en-12-oic acid methyl ester
(5S)-5r-(3,4-Dimethoxy-phenyl)-6t,7c-dimethyl-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxol|(5S)-5r-(3,4-dimethoxy-phenyl)-6t,7c-dimethyl-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxole|(7S,8R,8S)-3,4-dimethoxy-4,5-methylenedioxy-2,7-cyclolignan|3,4-Dimethoxy-3,4-methylenedioxy-6.7,8.8-neolignan|6,7-Methylendioxy-2,3-dimethyl-1-(3,4-methoxyphenyl)-tetralin|Galcatin
5-Ac,Me ether-4,5,10-Trihydroxy-11(13)-amorphen-12-oic acid|methyl 5-acetoxy-4,5-dihydro-4,10-dihydroxy-5-acetoxyartemisinate
5(S)-acetoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
(1E)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-diol 5-acetate|3-(acetyloxy)alpinikatin
(1E)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-diol 3-acetate|5-(acetyloxy)alpinikatin
(E)-2-(3-methyl-2-buten-1-yl)-4,5-dihydroxy-3,3-dimethoxystilbene|E-1-[5-hydroxy-3-methoxy-2-(3-methyl-2-butenyl)phenyl]-2-[4-hydroxy-3-methoxyphenyl]ethene
11,14-dihydroxy-12-methoxy-17(15->16),18(4->3)-bisabeo-abieta-3,5,8,11,13,16-hexaen-7-one|ajudecumin D
3,5-dihydroxy-6-carbomethoxy-2-(3-methyl-2-butenyl)bibenzyl
alpha,beta-Dihydro-2,4-dihydroxy-4-methoxy-3-prenylchalcone
(2S,3R)-2,3-dihydro-7-methoxy-3-methyl-2-(3,4-dimethoxyphenyl)-5-trans-(1-propenyl)-benzofuran
(3E)-3,4-dihydro-3-[(2E)-4-methoxy-4-methylpent-2-en-1-ylidene]-4,10-dimethyl-2H,5H-pyrano[3,2-c][1]benzopyran-5-one|gerdelavin A
5-Geranyl-3,6-dihydroxy-2-methyl-1,4-naphthoquinone
7,8-methylenedioxy-2alpha,3beta-dimethyl-1alpha-(3,4-dimethoxyphenyl)-tetralin
Yohimbic acid
Yohimbic acid is a yohimban alkaloid. It is functionally related to a 17alpha-yohimbol. C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Yohimbic acid is an amphoteric demethylated derivative of Yohimbine. Yohimbic acid exhibits vasodilatory action. Yohimbic acid also can be used for the research of osteoarthritis (OA)[1][2][3].
Poldine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds
2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid
4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole
[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate
Cinanserin
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate
4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole
Yohimbic acid
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Yohimbinoid alkaloids, Indole alkaloids Annotation level-1 Yohimbic acid is an amphoteric demethylated derivative of Yohimbine. Yohimbic acid exhibits vasodilatory action. Yohimbic acid also can be used for the research of osteoarthritis (OA)[1][2][3].
4-methoxy-6-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-1,3-benzodioxole [IIN-based: Match]
[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate [IIN-based on: CCMSLIB00000848998]
[5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylpentanoate [IIN-based: Match]
Ala Gly Pro Pro
Ala Pro Gly Pro
Ala Pro Pro Gly
Gly Ala Pro Pro
Gly Pro Ala Pro
Gly Pro Pro Ala
Pro Ala Gly Pro
Pro Ala Pro Gly
Pro Gly Ala Pro
Pro Gly Pro Ala
Pro Pro Ala Gly
Pro Pro Gly Ala
(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one
methantheline
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
5-Deoxymyricanone
2',7-Dihydroxy-4'-methoxy-8-prenylflavan
2',4'-Dihydroxy-7-methoxy-8-prenylflavan
11-Hydroxytubotaiwine
4-Methoxy-6-(2-{4-[(3-methyl-2-buten-1-yl)oxy]phenyl}ethyl)-1,3-benzodioxole
4-(QUINOLINE-3-CARBONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Copper Peptide
Glycyl-L-histidyl-L-lysine is a tripeptide consisting of glycine, L-histidine and L-lysine residues joined in sequence. Glycyl-L-histidyl-L-lysine is a hepatotropic immunosuppressor and shows anxiolytic effect. Glycyl-L-histidyl-L-lysine and its copper complexes show good skin tolerance[1][2][3].
1,2:5,6-DI-O-CYCLOHEXYLIDENE-3-CYANO-ALPHA-D-ALLOFURANOSE
1-[2-AMINO-1-(4-BENZYLOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
4-[2-(3-Chloro-phenyl)-2-hydroxy-ethyl]-piperazine-1-carboxylic acid tert-butyl ester
Pirisudanol
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
[2,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate
2-(4-(BENZYLOXY)-3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1,2:5,6-Di-O-cyclohexylidene-alpha-D-glucofuranose
1,1-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]
benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium,prop-2-enamide,chloride
2,2’-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis-oxiranhomopol
Tilisolol hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
BENZYL 5-FLUOROSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOLIUM CHLORIDE
[6-(4-methyl-piperazin-1-yl)-4-o-tolylpyridin-3-yl]-carbamic acid methyl ester
(2S)-5-(tert-butyldiphenylsilyloxy)-1,2-epoxypentane
(2S,5R)-benzyl 5-(benzyloxyamino)piperidine -2-carboxylate
Tomivosertib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
(1R,4R)-[4-(4-Chloro-5-Methyl-pyriMidin-2-ylaMino)-cyclohexyl]-carbaMic acid tert-butyl ester
4-Chloro-4-(trans-4-pentylcyclohexyl)-1,1-biphenyl
[1-(4-Chloro-5-methyl-pyrimidin-2-yl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester
[1-(2-Chloro-6-methyl-pyrimidin-4-yl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester
2,3:5,6-DI-O-CYCLOHEXYLIDENE-ALPHA-D-MANNOFURANOSE
Penthienate
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds
N6-(2,5-Dimethoxy-benzyl)-N6-methyl-pyrido[2,3-D]pyrimidine-2,4,6-triamine
Gemcabene calcium
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent Gemcabene calcium (PD-72953 calcium), a first-in-class lipid-lowering agent, lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C) and lowers pro-inflammatory acute-phase protein, C-reactive protein (CRP), exerting anti-inflammatory activity[1][2][3].
Phosphine oxide, [5-methyl-2-(1-methylethyl)cyclohexyl]diphenyl-
[[(1S,2S,5R)-5-Methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
1-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine
Parapenzolate
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
2,4-Diamino-6-[N-(3,5-dimethoxybenzyl)-N-methylamino]pyrido[2,3-D]pyrimidine
N-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide
(1S,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester
(E)-N-(diaminomethylidene)-2-methyl-3-[4-methyl-2-[(E)-2-methyl-3-oxo-3-(propan-2-ylideneamino)prop-1-enyl]phenyl]prop-2-enamide
[3-carboxy-2-[(3E,5E,8E)-9-carboxynona-3,5,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E,8E)-9-carboxynona-2,5,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-9-carboxynona-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E,8E)-9-carboxynona-4,6,8-trienoyl]oxypropyl]-trimethylazanium
(E)-5-[4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]pent-3-enoic acid
3-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-6-hydroxy-2,4-dimethylbenzaldehyde
Phosphatoquinone B
A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2, a methyl group at position 3, and hydroxy groups at positions 5 and 7. It is isolated from the culture broth of Streptomyces sp.TC-0363 and exhibits inhibitory activity against the enzyme protein tyrosine phosphatase.
Pregna-4,17(20)-dien-21-oicacid,16beta-hydroxy-3,11-dioxo-,gamma-lactone
2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamide
1,3-dimethyl-8-(4-phenyl-1-piperazinyl)-7H-purine-2,6-dione
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
2-(4-methyl-1-piperidinyl)-N-[2-(phenylthio)phenyl]acetamide
N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine
N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxo-2-pyrrolidinecarboxamide
4-[3-(4-Fluorophenyl)-2,5,6-trimethyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
6-[2-(Dimethylamino)ethylamino]-8-(2-furanyl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
N1-(4-butyl-2-methylphenyl)-2-(benzylamino)-2-thioxoacetamide
(11S)-11-benzyl-3-oxa-9,14,15,16-tetrazatricyclo[12.2.1.05,9]heptadeca-1(17),15-dien-10-one
(2S,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
1-[(3aR,4R,9bR)-8-(4-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone
(11R)-11-benzyl-3-oxa-9,14,15,16-tetrazatricyclo[12.2.1.05,9]heptadeca-1(17),15-dien-10-one
(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
1-[(3aS,4S,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone
1-[(3aS,4R,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone
(1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylic acid
3,4-Dihydro-2,5,7,8-tetramethyl-6-hydroxy-2H-1-benzopyran-2-carboxylic acid benzyl ester
propiomazine
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
mepenzolate
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
BISPHENOL A DIGLYCIDYL ETHER
D009676 - Noxae > D002273 - Carcinogens
LUCANTHONE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Gly-His-Lys
A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence.
2-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-phenethylbenzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
1-[3-(1,3-benzodioxol-5-yloxy)propyl]-4-phenylpiperazine
6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
AVN-101 (hydrochloride)
AVN-101 hydrochloride is a potent, brain-penetrant and orally active 5-HT7 receptor antagonist (Ki of 153 pM), with slightly lesser potency toward 5-HT6, 5-HT2A, and 5HT-2C receptors (Ki values of 2.04 nM, 1.56 ?nM, and 1.17? nM, respectively). AVN-101 hydrochloride also exhibits a rather high affinity toward histamine H1 (Ki of 0.58 nM) and adrenergic α2A, α2B, and α2C (Ki= 0.41-3.6 nM) receptors. AVN-101 hydrochloride can be studied in such diseases as general anxiety disorders, depression, schizophrenia, and multiple sclerosis[1].
GAC0003A4
GAC0003A4 is an LXR inverse agonist that inhibits LXR transcriptional activity. GAC0003A4 also efficiently degrades LXRβ protein. GAC0003A4 has the potential to be used in advanced pancreatic cancer and other refractory malignancies[1].
Tracazolate (hydrochloride)
Tracazolate (ICI 136753) hydrochloride is a potent GABAA receptor modulator. Tracazolate hydrochloride has selectivity for β3 and potentiates α1β1γ2s (EC50=13.2 μM), α1β3γ2 (EC50=1.5 μM). Tracazolate hydrochloride has the potency (EC50) determined by the nature of the third subunit (γ1-3, δ, ε) within the receptor complex. Tracazolate hydrochloride possesses anxiolytic and anticonvulsant activity[1][2].
15-hydroxy-13-isopropyl-14-methoxy-7,7-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),2,4,11,13-pentaene-6,10-dione
2'-(1-hydroxyethyl)-4'-methyl-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-2-ol
3-hydroxy-16,17-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaen-9-one
2-[(1s,12s,13r,14r,15e)-13-(hydroxymethyl)-7-methoxy-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-15-ylidene]ethanol
methyl (8s,13e,14s,16s,17r,18s)-13-ethylidene-8-hydroxy-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6-triene-18-carboxylate
methyl (13e)-13-ethylidene-10-hydroxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-triene-18-carboxylate
2-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-3-methylnaphthalene-1,4-dione
n-(1-hydroxy-3-phenylpropan-2-yl)-2-[(1-hydroxyethylidene)amino]-3-phenylpropanimidic acid
(3s)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2h-1-benzopyran-7-ol
(7'e)-7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
methyl (5s,8r,8as)-2-(furan-3-yl)-5,8,8a-trimethyl-3-oxo-4,6,7,8-tetrahydro-1h-acenaphthylene-5-carboxylate
4-(7-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
(8s)-15-hydroxy-13-isopropyl-14-methoxy-7,7-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),2,4,11,13-pentaene-6,10-dione
15-ethylidene-6-hydroxy-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraen-12-one
[(5s)-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate
12-ethyl-9-hydroxy-19-methoxy-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(18),2,4,6,8-pentaen-17-one
3-(4-methoxy-4-methylpent-2-en-1-ylidene)-4,6-dimethyl-2h,4h-pyrano[2,3-b]chromen-5-one
methyl (4as,5r)-5-(1h-indol-2-yl)-2-methyl-1h,3h,4h,4ah,6h,8h-oxepino[4,5-c]pyridine-5-carboxylate
8-hydroxy-2-(1-hydroxyheptyl)-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-4-yl acetate
(1r,4s,7r,8s,9r,11s,12s)-12-hydroxy-7-methoxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
n-[(2r,3r,4r,5r,7s)-5-chloro-4-ethenyl-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraen-3-yl]methanimine
(1r,4s,7s,8s,9r,11s,12s)-12-hydroxy-7-methoxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(1's,3s,4'r,7'z,8's,9'r)-7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
19,20-(e)-vallesamine
{"Ingredient_id": "HBIN002156","Ingredient_name": "19,20-(e)-vallesamine","Alias": "19,20-(E)-vallesamine","Ingredient_formula": "C20H24N2O3","Ingredient_Smile": "CC=C1CN2CCC1C(C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC","Ingredient_weight": "340.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22311;41596","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113964","DrugBank_id": "NA"}
19-(r)-hydroxydihydrogelsemine
{"Ingredient_id": "HBIN002214","Ingredient_name": "19-(r)-hydroxydihydrogelsemine","Alias": "NA","Ingredient_formula": "C20H24N2O3","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6NC4=O)C)O","Ingredient_weight": "340.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15832","TCMID_id": "9999","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101601182","DrugBank_id": "NA"}
19-(r)-hydroxydihydrokoymine
{"Ingredient_id": "HBIN002217","Ingredient_name": "19-(r)-hydroxydihydrokoymine","Alias": "NA","Ingredient_formula": "C20H24N2O3","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6NC4=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31181","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-2',4'-dihydroxy-7-methoxy-8-prenylflavan
{"Ingredient_id": "HBIN006584","Ingredient_name": "(2s)-2',4'-dihydroxy-7-methoxy-8-prenylflavan","Alias": "NA","Ingredient_formula": "C21H24O4","Ingredient_Smile": "CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)O)O)OC)C","Ingredient_weight": "340.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6000","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10132047","DrugBank_id": "NA"}
6,7-seco-angustilobine B
{"Ingredient_id": "HBIN012102","Ingredient_name": "6,7-seco-angustilobine B","Alias": "NA","Ingredient_formula": "C20H24N2O3","Ingredient_Smile": "CN1CCC2C(=CCOCC2(C3=CC4=CC=CC=C4N3)C(=O)OC)C1","Ingredient_weight": "340.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41099","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "13891912","DrugBank_id": "NA"}
