Exact Mass: 340.2072
Exact Mass Matches: 340.2072
Found 500 metabolites which its exact mass value is equals to given mass value 340.2072,
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
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
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.
14,19-Dihydroaspidospermatine
14,19-Dihydroaspidospermatine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
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.
11-Hydroxytubotaiwine
11-Hydroxytubotaiwine is an alkaloid from cultured cells of Aspidosperma quebracho-blanco (quebracho). Alkaloid from cultured cells of Aspidosperma quebracho-blanco (quebracho)
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
2-alpha-Ethoxydihydrophytuberin
2-alpha-ethoxydihydrophytuberin is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-alpha-ethoxydihydrophytuberin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-alpha-ethoxydihydrophytuberin can be found in potato, which makes 2-alpha-ethoxydihydrophytuberin a potential biomarker for the consumption of this food product.
2-beta-Ethoxydihydrophytuberin
2-beta-ethoxydihydrophytuberin is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-beta-ethoxydihydrophytuberin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-beta-ethoxydihydrophytuberin can be found in potato, which makes 2-beta-ethoxydihydrophytuberin a potential biomarker for the consumption of this food product.
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
5-carboxy-2,3-dihydro-2-(1,5-dimethyl-1E,4-hexadienyl)-7-(3-methyl-2-butenyl)benzofuran|myrsinoic acid F
(-)-Ibogalin|(-)-ibogaline|12,13-Dimethoxy-ibogamin|12,13-dimethoxy-ibogamine
21-O-methylleuconolam|leuconolam methyl ether|O-methylleuconolam
Vallesamine
19,20-(E)-Vallesamine is a natural product found in Tabernaemontana citrifolia, Alstonia rostrata, and Alstonia scholaris with data available.
(3E,4R*,5S*)-4,5-dihydro-3-[(11E)-13,14-dihydroxytetradec-11-en-1-ylidenel]-4-hydroxy-5-methylfuran-2(3H)-one|litseatrinolide B
3-[3(R)-ETHENYL 1-METHYL 4(R)-PIPERIDYL]-1-(6-METHOXY-4-QUINOLYL)-1(S)-PROPANOL
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,4R*,5S*)-4,5-dihydro-3-[(12E)-11,14-dihydroxytetradec-12-en-1-ylidenel]-4-hydroxy-5-methylfuran-2(3H)-one|litseatrinolide A
10-Hydroxy-16-epiaffinine
(+-)-Dihydrosecodin|15,20-Duhydro-Secodine|16,17-Dihydroseconine|2-{3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-indol-2-yl}-propionic acid methyl ester|Dihydrosecodin
1beta,4beta-dihydroxy-8beta-acetoxy-5alphaH-eudesma-11(13)-en-12-oic acid methyl ester
methyl 3alpha-hydroxy-8alpha-acetoxy-tetranor-labdan-12-oate
Cleavamine, 18.beta.-carboxy-3,4.alpha.-dihydro-, methyl ester
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
(-)-octalactin B|4(R),5(S),8(S)-4-hydroxy-8-[(E),1(S),6(S)-6-hydroxy-1,3,7-trimethyl-2-oxo-oct-3-enyl]-5-methyl-oxocan-2-one|Octalactin B
20-methoxy-1,4,17(20)E-pregnatriene-3,16-dione|dehydroguggulsterone M
2,7,19,20-Tetrahydro-3-hydroxy-1-methylvobasan-17-oic acid ??-alctone
Gaudichaudianic acid, (-rac)
A natural product found in Piper gaudichaudianum.
6-(2-hydroxydodecan-2-yl)-3-(hydroxymethyl)-4-methoxy-2H-pyran-2-one|monascuspyrone
8-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,2-dimethyl-2H-chromene-6-carboxylic acid|cumanensic acid
6-Methoxy-1-methyl-10,11-dihydro-1,8-seco-cinchonan-9-on|6-methoxy-1-methyl-10,11-dihydro-1,8-seco-cinchonan-9-one|N-methyl dihydroquinicine
3,11beta-Dimethoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-17beta-ol
Me ester-(+_)-2,5-Dihydro-2-methoxy-3,4-dimethyl-5-oxo-2-furannundecanoic acid
16,17-Dimethoxy-aspidofractin|6,17-dimethoxy-aspidofractinine
dihydrobotrydial ethyl ether|O-ethyldihydrobotrydial
(-)-Nb-methylraumacline|N(b)-Methylraumacline|Nb-Methylraumacline|Nbeta-methylraumacline
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
[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
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].
[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]
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)
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
Dihydroaspidospermatine
Piperochromenoic acid
11-Hydroxytubotaiwine
4-(QUINOLINE-3-CARBONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-Ethyl 1-(2-methyl-2-propanyl) 1,4-bipiperidine-1,4-dicarboxy late
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
Terguride
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CB - Prolactine inhibitors D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
2-(4-(BENZYLOXY)-3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(3aR,4R,7aS)-tert-butyl 4-(tert-butoxycarbonylamino)hexahydro-1H-isoindole-2(3H)-carboxylate
1,2:5,6-Di-O-cyclohexylidene-alpha-D-glucofuranose
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
[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
1-(4-Ethylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
(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
(E)-5-[4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]pent-3-enoic acid
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
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.
1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-
1-[(3,4-Dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
5-[[4-(4-Methyl-1-piperazinyl)-1-piperidinyl]methyl]-8-quinolinol
2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamide
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(3-methylphenoxy)propanamide
N-[(2,3-dimethoxyphenyl)methyl]-4-(4-methyl-1-piperidinyl)aniline
6-[2-(Dimethylamino)ethylamino]-8-(2-furanyl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
3-(4-morpholinyl)-N-[(2-prop-2-enoxy-1-naphthalenyl)methyl]-1-propanamine
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone
N-[(2S,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
N-[(2R,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
N-[(2R,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
(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
N-[[(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
N-[(2R,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
N-[(2S,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
N-[(2S,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
(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
(2S,3R)-3-geranyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan
(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
N-[(1R,2R)-2-(4-tert-butylanilino)cyclohexyl]furan-2-carboxamide
(2S,2S)-N,N-DI-Tert-butoxycarbonyl-2,2-bipyrrolidine
(4AS,5S,8AS)-8Abeta-methoxymethoxymethyl-5beta-methyl-5alpha-(3-oxopropyl)-3,4,4A,5,6,7,8,8A-octahydronaphthalen-1(2H)-one 1-ethylene acetal
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
3alpha-hydroxy-3,5-dihydromonacolin L acid
A polyketide obtainbed by allylic hydroxylation of dihydromonacolin L acid at the 3alpha-position.
Gly-His-Lys
A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence.
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
optochin
A cinchona alkaloid consisting of 10,11-dihydrocinchonan bearing hydroxy and ethoxy substituents at positions 9 and 6 respectively.
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
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].
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
[(1s,12s,13r,16s,17r,18r)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl]methanol
2'-(1-hydroxyethyl)-4'-methyl-9'-oxa-4'-azaspiro[indole-3,7'-tetracyclo[6.3.1.0²,⁶.0⁵,¹¹]dodecan]-2-ol
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
[(1r,12r,13r,16r,17r,18r)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl]methanol
methyl 2-{4,6-diethyl-6-[2-(3-ethyloxiran-2-yl)but-1-en-1-yl]-1,2-dioxan-3-yl}acetate
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
(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
(7'e)-7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
(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
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
(3ar,4s,5r,8as)-5-[(2s,5r)-6-chloro-5-hydroxy-6-methylheptan-2-yl]-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1h-azulen-4-ol
methyl 2-[(3s,4s,6r)-4,6-diethyl-6-[(1e)-2-[(2r,3s)-3-ethyloxiran-2-yl]but-1-en-1-yl]-1,2-dioxan-3-yl]acetate
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
methyl (4as,5r)-5-(1h-indol-2-yl)-2-methyl-1h,3h,4h,4ah,6h,8h-oxepino[4,5-c]pyridine-5-carboxylate
(1s)-3-[(3r,4r)-3-ethenyl-1-methylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
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
1-[(1r,9r,12s,19s)-12-ethyl-6-hydroxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-8-yl]ethanone
(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"}
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"}
