Exact Mass: 384.1626
Exact Mass Matches: 384.1626
Found 500 metabolites which its exact mass value is equals to given mass value 384.1626
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
wuweizisu C
schisandrin C is a natural product found in Schisandra sphenanthera and Schisandra chinensis with data available. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
Roxatidine acetate hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists Roxatidine Acetate Hydrochloride is a potent, selective, competitive and orally active histamine H2-receptor antagonist. Roxatidine Acetate Hydrochloride has antisecretory potency against gastric acid secretion. Roxatidine Acetate Hydrochloride can also suppress inflammatory responses and can be used for gastric and duodenal ulcers research. Roxatidine Acetate Hydrochloride has antitumor activity[1][2][3].
Artesunate
Artesunate is an artemisinin derivative that is the hemisuccinate ester of the lactol resulting from the reduction of the lactone carbonyl group of artemisinin. It is used, generally as the sodium salt, for the treatment of malaria. It has a role as an antimalarial, a ferroptosis inducer and an antineoplastic agent. It is an artemisinin derivative, a sesquiterpenoid, a dicarboxylic acid monoester, a cyclic acetal, a semisynthetic derivative and a hemisuccinate. Artesunate is indicated for the initial treatment of severe malaria. The World Health Organization recommends artesunate as first line treatment for severe malaria. Artesunate was developed out of a need for a more hydrophilic derivative of [artemisinin]. Artesunate was granted FDA approval on 26 May 2020. Artesunic acid is a natural product found in Artemisia apiacea, Acronychia pubescens, and Artemisia carvifolia with data available. Artesunate is a water-soluble, semi-synthetic derivative of the sesquiterpine lactone artemisinin with anti-malarial, anti-schistosomiasis, antiviral, and potential anti-neoplastic activities. Upon hydrolysis of artesunates active endoperoxide bridge moiety by liberated heme in parasite-infected red blood cells, reactive oxygen species and carbon-centered radicals form, which have been shown to damage and kill parasitic organisms. Additionally, in vitro studies demonstrate that this agent induces DNA breakage in a dose-dependent manner. Artesunate has also been shown to stimulate cell differentiation, arrest the cell cycle in the G1 and G2/M phases, inhibit cell proliferation, and induce apoptosis through mitochondrial and caspase signaling pathways. Artemisinin is isolated from the plant Artemisia annua. artesunate is a mineral. A water-soluble, semi-synthetic derivative of the sesquiterpene lactone artemisinin with anti-malarial, anti-schistosomiasis, antiviral, and potential anti-neoplastic activities Artesunate is part of the artemisinin group of drugs that treat malaria. It is a semi-synthetic derivative of artemisinin that is water-soluble and may, therefore, be given by injection. It is on the World Health Organizations List of Essential Medicines, the most effective and safe medicines needed in a health system (DrugBank). P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides D000970 - Antineoplastic Agents Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1). Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1).
O-Ethylcubebin
O-Ethylcubebin is found in herbs and spices. O-Ethylcubebin is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). O-Ethylcubebin is found in herbs and spices.
Kanzonol N
Kanzonol N is found in herbs and spices. Kanzonol N is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol N is found in herbs and spices.
2,3-Butanediol apiosylglucoside
2,3-Butanediol apiosylglucoside is found in herbs and spices. 2,3-Butanediol apiosylglucoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol apiosylglucoside is found in herbs and spices.
5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is found in herbs and spices. 5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is a constituent of Melilotus alba (white melilot). Constituent of Melilotus alba (white melilot). 5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is found in herbs and spices and pulses.
Glicoisoflavanone
Glicoisoflavanone is found in herbs and spices. Glicoisoflavanone is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Glicoisoflavanone is found in herbs and spices.
12-Dehydroporson
12-Dehydroporson is found in herbs and spices. 12-Dehydroporson is a constituent of Myrica gale (bog myrtle).
16alpha-Hydroxy DHEA 3-sulfate
16alpha-Hydroxy DHEA 3-sulfate (16α-OH-DHEAS), also known as 3beta,16alpha-Dihydroxyandrostenone sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 16alpha-Hydroxy DHEA 3-sulfate originates mainly from the fetus and is a precursor for placental estriol biosynthesis (PMID: 24717977). 16alpha-Hydroxy DHEA 3-sulfate is a normal human metabolite identified in the placenta and breast milk of pregnant women. The size of the neonates adrenal glands is in direct relation to the levels of 16alpha-Hydroxy DHEA 3-sulfate in pregnancy (PMID: 2963083, 2974194, 6216072, 6220027, 6220952, 6445373).
16beta-OH-Dhea sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoate
Istradefylline
beta-Alanine, N-(N-(1-carboxy-2-phenylethyl)-L-phenylalanyl)-, (S)-
[(3S,8R,9S,10R,13S,14S)-16-Hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
1,5-Dihydroxy-4,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione
schisandrin C
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
AC1L9DW8
Wuweizisu C is a tannin. Schizandrin C is a natural product found in Kadsura heteroclita, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
Laccaridione A
An organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by a hydroxy group at position 10, methoxy groups at positions 1 and 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases.
12-dehydroporson
Dodecamethylpentasiloxane
An organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism.
Glicoisoflavanone
(1R*,3S*,4S*,5R*,8S*,9S*,12R*,13S*,14S*)-8-bromo-5,9-dimethyl-13-(1-methylethyl)tetracyclo[10.2.1.0(3,12).0(4,9)]pentadecane-5,14-diol|(3S*)-3-hydroxy-1-deoxybromotetrasphaerol
1beta,6alpha-dihydroxy-8alpha-(3-hydroxy-isobutanoyloxy)-11-carboxymethyl-eudesm-11(13)-en-4-one
10-hydroxy-19alpha-methyl-2-oxo-(7alphaC2,20alpha)-formosanane-16-carboxylic acid methyl ester|Rumberin|rumberine
rel-(7S,8S,1R,5R,6S)-Delta2,8-6-acetoxy-4-methoxy-3,4-methylenedioxy-4-oxo-8,1,7.5-neolignan
11-methoxy-16-hydroxyalstonal|16-hydroxy-N(4)-demethylalstophyllal oxindole
11-methoxy-19-oxo-20alpha-hydroxyakuammicine|lagumidine
Androst-5-en-17-one,7-hydroxy-3-(sulfooxy)-,(3|A,7|A)-(9CI)
3,4,3,4-Tetramethoxy-Delta7,8-9-oxo-8.8,9.O.9-lignan|Tetra-Me ether-3,3,4,4-Tetrahydroxylign-7-en-9,9-olide
(S)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|glovanon
(4bR*,5S*,8R*,8aR*,10aS*,11S*)-8-bromododecahydro-5,8a-dimethyl-11-(1-methylethyl)-1H-3,10a-methanophenanthrene-2,5-diol|ioniol II
(1R*,3R*,4R*,4aR*,4bR*,5S*,8R*,8aR*,10aR*)-8-bromododecahydro-5,8a-dimethyl-1-(1-methylethyl)-1H-4,10a-methanophenanthrene-3,5-diol|ioniol I
4-methoxy-9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-7H-furo-[3,2-g][1]benzopyran-7-one|melicotriphyllin A
4-methoxy-9-[[(2E)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one|melicotriphyllin C
(S)-5,7-dihydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)isoflavanone|(S)-platyisoflavanone A
1-[8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-4-methylpent-3-enyl angenyloate
(-)-4-hydroxybenzoicacid-4-O-[6-O-((2R)-methylbutyryl)-beta-D-glucopyranoside]
(6aS,11aS)-1,9-dimethoxy-2-(3-methylbut-2-ene-1-yl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,6a-diol
(1S,3R,5R,7aR)-4-[(acetoxy)methyl]-1,3,5,7a-tetrahydro-7-(hydroxymethyl)-3,5-dimethoxycyclopenta[c]pyran-1-yl 3-methylbutanoate|jatairidoids A
(E)-3-(3,5-dimethoxy-4-phenylpropionyloxyphenyl)prop-2-enol acetate|dichrocephol D
5-beta-D-glucopyranosyloxy-7-hydroxy-2-isopropylchromanone
(1R,2S,4S)-2-bromo-4-(5-hydroxy-1,5,9-trimethyldeca-1,3,8-trienyl)-1-methylcyclohexanol|rogioldiol D
3-O-acetyl-4,5-O-(3-methylvaleryl)-and propionylshikimic acid methyl ester|3-O-acetyl-4,5-O-<3-methylvaleryl>-and propionylshikimic acid methyl ester
(S)-1-(8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl 3-methylbut-2-enoate|5-methoxy-beta,beta-dimethylacrylalkannin|5-O-methyl-11-O-(beta,beta-dimethylacryl)alkannin
deoxyanhydro-4-isopodophyllol|Deoxyanhydropodophyllol
(5S,6S,7R)-5,6,7,8-tetrahydro-4-methoxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethylnaphtho[2,3-d][1,3]dioxole|kadsurindutin C
Roxatidine acetate HCl
Roxatidine Acetate Hydrochloride is a potent, selective, competitive and orally active histamine H2-receptor antagonist. Roxatidine Acetate Hydrochloride has antisecretory potency against gastric acid secretion. Roxatidine Acetate Hydrochloride can also suppress inflammatory responses and can be used for gastric and duodenal ulcers research. Roxatidine Acetate Hydrochloride has antitumor activity[1][2][3].
Artesunate
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1). Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1).
schisandrin C
Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
Ala Ala His Ser
Ala Ala Ser His
Ala Gly His Thr
Ala Gly Thr His
Ala His Ala Ser
Ala His Gly Thr
Ala His Ser Ala
Ala His Thr Gly
Ala Ser Ala His
Ala Ser His Ala
Ala Thr Gly His
Ala Thr His Gly
Asp Gly Pro Pro
Asp Pro Gly Pro
Asp Pro Pro Gly
Gly Ala His Thr
Gly Ala Thr His
Gly Asp Pro Pro
Gly His Ala Thr
Gly His Thr Ala
Gly Pro Asp Pro
Gly Pro Pro Asp
Gly Thr Ala His
Gly Thr His Ala
His Ala Ala Ser
His Ala Gly Thr
His Ala Ser Ala
His Ala Thr Gly
His Gly Ala Thr
His Gly Thr Ala
His Ser Ala Ala
His Thr Ala Gly
His Thr Gly Ala
Pro Asp Gly Pro
Pro Asp Pro Gly
Pro Gly Asp Pro
Pro Gly Pro Asp
Pro Pro Asp Gly
Pro Pro Gly Asp
Ser Ala Ala His
Ser Ala His Ala
Ser His Ala Ala
Thr Ala Gly His
Thr Ala His Gly
Thr Gly Ala His
Thr Gly His Ala
Thr His Ala Gly
Thr His Gly Ala
2,3-Butanediol apiosylglucoside
O-Ethylcubebin
Kanzonol N
2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
1H-Benzimidazole,1-ethyl-2-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]-(9CI)
(2S,3R)-5-METHOXY-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE
2-[4-(1,3-dioxolan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine
[2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl] 2-methylprop-2-enoate
methyl 2-deoxy-3,5-di-o-p-toluoyl-d-*rib ofuranoside
Methyl 2-deoxy-3,5-di-O-toluoyl-D-ribofuranoside is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
3-(3-hydroxypropoxy)propan-1-ol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid
METHYL 4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE-6-CARBOXYLATE
METHYL 4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE-7-CARBOXYLATE
4-Fluorophenyl 4-(trans-4-propylcyclohexyl carbonyloxy)benzoate
(1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate
1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate
Istradefylline
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent N - Nervous system > N04 - Anti-parkinson drugs Istradefylline is a very potent, selective and orally active adenosine A2A receptor antagonist with Ki of 2.2 nM in experimental models of Parkinson's disease.
Toborinone
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)- (9CI)
(S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanoic acid
Methyl 2-deoxy-beta-D-erythro-pentopyranoside bis(4-methylbenzoate)
(S)-Valganciclovir DiMethyl Ether IMpurityDISCONTINUED
13,14-dihydro-13-phenyl-benz[c]indolo[2,3-a]carbazole
Decitabine Impurity 6 (alpha-D-Erythro-Pentopyranoside-Methyl-2-Deoxy-bis(4-methylbenzoate))
L-Phenylalanine, N-[(2R,3R)-3-methoxy-2-methyl-1-oxo-3-(2S)-2-pyrrolidinylpropyl]-, methyl ester, monohydrochloride (9CI)
2,2,2-TRIFLUORO-1-(4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PIPERAZIN-1-YL)ETHANONE
dimethyl-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]azanium,2-hydroxy-2-oxoacetate
3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1H-indol-3-YL)-1H-pyrrole-2,5-dione
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
GSK3987 is a pan LXRα/β agonist with EC50s of 50 nM, 40 nM for LXRα-SRC1 and LXRβ-SRC1, respectively. GSK3987 increases the expression of ABCA1 and SREBP-1c. GSK3987 induces cellular cholesterol efflux and triglyceride accumulation[1].
N-(P-Cyanophenyl)-N-diphenylmethyl-guanidine-acetic acid
N-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoic acid
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
Benzeneacetic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
Trimethylsilyl [(trimethylsilyl)oxy](4-[(trimethylsilyl)oxy]phenyl)acetate
Benzeneacetic acid, 2,5-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
(1R)-2-{[Amino(imino)methyl]amino}-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-YL]phenyl}ethyl nicotinate
(2s)-1-(6h-Indol-3-Yl)-3-{[5-(7h-Pyrazolo[3,4-C]pyridin-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine
16alpha-Hydroxydehydroepiandrosterone 3-sulfate
An androstanoid that is dehydroepiandrosterone 3-sulfate substituted by a hydroxy group at the 16alpha-position.
4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoate
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-furancarboxamide
4-(4-Anilinoanilino)-2-quinazolinecarboxylic acid ethyl ester
2-[4-[[4-(4-Methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
6-[2-butylimino-3-(cyclopentylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)benzamide
N,N-diethyl-2-[[4-ethyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide
2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
2-[3-(3-methoxyphenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
2-[[2-Furanyl(oxo)methyl]amino]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
(2S,3S,4S)-4-(hydroxymethyl)-1-(2-phenylacetyl)-3-(4-pyrimidin-5-ylphenyl)azetidine-2-carbonitrile
(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
N-(cyclopropylmethyl)-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
(2S,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile
1-[(1R,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1R,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(2R,3R)-6-[(2-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-1-propanone
N-(cyclopropylmethyl)-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile
1-[(1S,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1S,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
(1S,5R)-3-(3-methoxyphenyl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
3-(p-Tert-butylphenyl)-3-(6-chloropyridin-3-yl)-1-(morpholin-4-yl)prop-2-en-1-one
4-oxo-4-[[(1S,4S,5R,8S,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentoxy]oxane-2-carboxylic acid
[(8S,9S,10S,13R,14S,16R)-1-hydroxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulate
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
[(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
N-[2-[(4S)-6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl]ethyl]-2-(dimethylamino)acetamide
6-Acetoxy-2,5,7,8-tetramethyl-2-[2-(phenylthio)ethyl]-3,4-dihydro-2H-1-benzopyran
Methyl 2-(N-((bornane-10,2-sultam)-12-carbamoyl)amino)-4-methyl-4-pentenoate
2-[(3-Acetyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
BMY-14802 (hydrochloride)
BMY-14802 hydrochloride (BMY-14802-1) is a selective and orally active sigma receptor antagonist with an IC50 of 112 nM. BMY-14802 hydrochloride is also a 5-HT1A and adrenergic α1 receptors agonist. BMY-14802 hydrochloride has antipsychotic effects[1][2][3].
Y16
Y16 is a specific inhibitor of Leukemia-associated Rho guanine nucleotide exchange factor (LARG) with a Kd value of 76 nM. Y16 is active in blocking the interaction of LARG and related G-protein-coupled Rho GEFs with RhoA. Y16 shows no detectable effect on other diffuse B-cell lymphoma (Dbl) family Rho GEFs, Rho effectors, or a RhoGAP[1].
16beta-Hydroxydehydroepiandrosterone sulfate
new metabolite created
(1's,2's,3s,7's,9's)-6'-acetyl-2'-hydroxy-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene
5-bromo-2,6,6,10,15-pentamethyl-11,14-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁵]heptadecane
7-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5-methoxy-4,6-dimethyl-3h-2-benzofuran-1-one
9-[(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy]-4-methoxyfuro[3,2-g]chromen-7-one
7'',8''-dihydroxy-6''-(hydroxymethyl)-2,6,6-trimethyl-3'',4''a,6'',7'',8'',8''a-hexahydrodispiro[cyclohexane-1,2'-oxolane-5',2''-pyrano[2,3-b][1,4]dioxin]-2-en-4-one
(1s,9s,10s)-5-isopropyl-3,4-dimethoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6,13-tetraene-8,12,15-trione
5-bromo-14-isopropyl-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-8,13-diol
(1s,3s,7r,7as)-4-[(acetyloxy)methyl]-7-(hydroxymethyl)-3,7-dimethoxy-1h,3h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylpropanoate
2-[2-(3-bromo-6-ethenyl-2,6-dimethyloxan-2-yl)ethyl]-1,3,4-trimethyl-7-oxabicyclo[2.2.1]heptane
4-methoxy-6-{4-methoxy-6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl}-2h-1,3-benzodioxole
(1s)-1-(8-hydroxy-5-methoxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate
(3r)-5-[(1r,6r)-6-bromo-2-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-1,3-dimethylcyclohex-3-en-1-yl]-2-methylpent-1-en-3-ol
5-[6,7-bis(methoxymethyl)-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl]-2h-1,3-benzodioxole
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-2,7-dimethyl-4a,8a-dihydrochromen-4-one
(2r)-5,10-dihydroxy-2-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-4-oxo-1,3-dihydroanthracen-2-yl acetate
8-bromo-3-ethenyl-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-6-ol
14-bromo-9-ethenyl-4,9,11,15,15-pentamethyl-5,10-dioxatricyclo[9.4.0.0⁴,⁶]pentadecane
7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
methyl (3r,4s,5r)-3-(acetyloxy)-5-{[(3s)-3-methylpentanoyl]oxy}-4-(propanoyloxy)cyclohex-1-ene-1-carboxylate
(3s)-5-hydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(1r,4s,5s,8r,9s,10s,12s,14r)-5-bromo-14-isopropyl-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-8,14-diol
n-{2-[2-carbamimidamido-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl}guanidine
(1'r,2'r,3s,7'r,9'r)-6'-acetyl-2'-hydroxy-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
(1r,2r,4s,5r,6s,9s,10r,11s,13s)-2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylpropanoate
(3s,4s)-4,8-dihydroxy-4-methyl-3-({[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydronaphthalen-1-one
(10s,11r,15r)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene
(1s,2r,4s,5r,6s,9s,10s,11s,12s,13r)-2,11,12-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylpropanoate
16-hydroxy-n(4)-demethylalstophyllal oxindole
{"Ingredient_id": "HBIN001918","Ingredient_name": "16-hydroxy-n(4)-demethylalstophyllal oxindole","Alias": "NA","Ingredient_formula": "C21H24N2O5","Ingredient_Smile": "CC1=C(C2CC3C4(CC(C2(CO1)O)N3)C5=C(C=C(C=C5)OC)N(C4=O)C)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9976","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16-hydroxy-n(4)-demethylalstophyllineoxindole
{"Ingredient_id": "HBIN001919","Ingredient_name": "16-hydroxy-n(4)-demethylalstophyllineoxindole","Alias": "NA","Ingredient_formula": "C21H24N2O5","Ingredient_Smile": "CC(=O)C1=COCC2(C1CC3C4(CC2N3)C5=C(C=C(C=C5)OC)N(C4=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9977","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-acetylteuscordin
{"Ingredient_id": "HBIN012255","Ingredient_name": "6\u03b2-acetylteuscordin","Alias": "NA","Ingredient_formula": "C22H24O6","Ingredient_Smile": "CC1CC(C23COC(=O)C2=CCCC3C14CC(OC4=O)C5=COC=C5)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alschomine
{"Ingredient_id": "HBIN015762","Ingredient_name": "alschomine","Alias": "NA","Ingredient_formula": "C21H24N2O5","Ingredient_Smile": "CC=C1C=[N+](C2CC1C(C34C2(NC5=CC=CC=C53)OC(C4)OC)C(=O)OC)[O-]","Ingredient_weight": "384.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35074","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11969856","DrugBank_id": "NA"}