Exact Mass: 340.1858
Exact Mass Matches: 340.1858
Found 500 metabolites which its exact mass value is equals to given mass value 340.1858,
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
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
Norethindrone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Perindoprilat
Perindoprilat is a metabolite of perindopril. Perindopril, or perindopril arginine, (trade names include Coversyl and Aceon) is a long-acting ACE inhibitor. Perindopril is used to treat high blood pressure, heart failure or stable coronary artery disease. It is also available in a generic form, perindopril erbumine. (Wikipedia) D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
2-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(3-Methylphenyl)amino]pyrimidine-5-Carboxamide
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
Canrenone
Canrenone is the major metabolite of spironolactone. Spironolactone is a competitive aldosterone receptor antagonist (ARA), has traditionally been the treatment of first choice in idiopathic hyperaldosteronism (IHA) and for preoperative management of aldosterone producing adenoma (APA), and its therapeutic properties are attributable to active metabolite canrenone. Canrenone and the K+ salt of canrenoate are also in clinical use: they avoid the formation of intermediate products with anti-androgenic and progestational actions, resulting in a decreased incidence of side effects. (PMID: 10790593) [HMDB] Canrenone is the major metabolite of spironolactone. Spironolactone is a competitive aldosterone receptor antagonist (ARA), has traditionally been the treatment of first choice in idiopathic hyperaldosteronism (IHA) and for preoperative management of aldosterone producing adenoma (APA), and its therapeutic properties are attributable to active metabolite canrenone. Canrenone and the K+ salt of canrenoate are also in clinical use: they avoid the formation of intermediate products with anti-androgenic and progestational actions, resulting in a decreased incidence of side effects. (PMID:10790593). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Canrenone (Aldadiene) is an aldosterone antagonist extensively used as a diuretic agent.
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.
Piperochromenoic acid
Piperochromenoic acid is found in herbs and spices. Piperochromenoic acid is a constituent of the leaves of Piper auritum (Veracruz pepper). Constituent of the leaves of Piper auritum (Veracruz pepper). Piperochromenoic acid is found in herbs and spices.
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
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)-
Norethindrone acetate
Pexacerfont
Quinidine N-oxide
Spirolactone SC 14266
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
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].
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.
5-carboxy-2,3-dihydro-2-(1,5-dimethyl-1E,4-hexadienyl)-7-(3-methyl-2-butenyl)benzofuran|myrsinoic acid F
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
2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]-5-methylbenzene-1,4-diol|Furanoquinol
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
20-methoxy-1,4,17(20)E-pregnatriene-3,16-dione|dehydroguggulsterone M
Gaudichaudianic acid, (-rac)
A natural product found in Piper gaudichaudianum.
5(S)-acetoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
8-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,2-dimethyl-2H-chromene-6-carboxylic acid|cumanensic acid
(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
3,11beta-Dimethoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-17beta-ol
(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].
Canrenone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2394 INTERNAL_ID 2394; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8731 INTERNAL_ID 8731; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4164 Canrenone (Aldadiene) is an aldosterone antagonist extensively used as a diuretic 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
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
[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
Perindoprilat
A dipeptide obtained by formal condensation of one of the carboxy groups of N-[(1S)-1-carboxyethyl]-L-norvaline with the amino group of (2S,3aS,7aS)-octahydroindole-2-carboxylic acid. The major active metabolite of perindopril. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
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
Piperochromenoic acid
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
1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
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]
2,2’-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis-oxiranhomopol
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
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
(2R,5S)-rel-Tetrahydro-5-propyl-2-[trans-4-(3,4,5-trifluorophenyl)cyclohexyl]-2H-pyran
4-Chloro-4-(trans-4-pentylcyclohexyl)-1,1-biphenyl
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
Phosphine oxide, [5-methyl-2-(1-methylethyl)cyclohexyl]diphenyl-
[[(1S,2S,5R)-5-Methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene
Bohemine
Bohemine is a purine analogue and is a synthetic and selective CDK inhibitor with IC50s of 4.6 μM, 83 μM, and 2.7 μM for Cdk2/cyclin E, Cdk2/cyclin A, and Cdk9/cyclin T1, respectively. Bohemine also inhibits ERK2 with an IC50 of 52 μM and has less inhibitory effect on CDK1, CDK4 and CDK6. Bohemine has a broad spectrum anti-cancer activities[1][2].
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
(8r,9s,10r,13s,14s,17r)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3h-spiro[cyclopenta[a]phenanthrene-17,2-furan]-3,5(4h,6h)-dione
(9S,14S)-10,13-Dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5-oxolane]-2,3-dione
(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
2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
[(10R,13S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
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.
Myrsinoic acid F
A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a prenyl group at position 7 and a 6-methylhepta-2,5-dien-2-yl group at position 2. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity.
Pregna-4,17(20)-dien-21-oicacid,16beta-hydroxy-3,11-dioxo-,gamma-lactone
2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamide
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine
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
(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
(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
(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
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
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
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
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].
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
14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.0²,⁷.0¹⁴,¹⁹]nonadeca-1(11),2(7),15,18-tetraen-17-one
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
(3r,4r)-12-ethoxy-11-isopropyl-6-methyl-3-(2-methylprop-1-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-ol
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
(10s,14r)-14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.0²,⁷.0¹⁴,¹⁹]nonadeca-1(11),2(7),15,18-tetraen-17-one
(1r,2s,5e,8s,9r)-6,10,10-trimethylspiro[bicyclo[7.2.0]undecane-2,2'-oxiran]-5-en-8-yl benzoate
(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
2-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-en-1-yl]benzene-1,4-diol
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"}
