Exact Mass: 384.151
Exact Mass Matches: 384.151
Found 500 metabolites which its exact mass value is equals to given mass value 384.151
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Macrozamin
Macrozamin is a glycoside. (Z)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethylimino]ammonium is a natural product found in Macrozamia communis, Dioon spinulosum, and other organisms with data available. Macrozamin is a major constituent principle of Cycads. Macrozamin has carcinogenic, mutagenic, teratogenic and neurotoxic properties[1].
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].
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
Elafibranor
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
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.
5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-7,8-dihydro-6H-isochromen-6-one
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
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
3-deoxy-5-o-alpha-L-rhamnopyranosyl-D-manno-2-octulopyrosonic acid|alpha-L-rhamnopyranosido-(1<*>5)-D-3-deoxy-D-manno-2-octulosonic acid|alpha-L-rhamnopyranosido-(1[*]5)-D-3-deoxy-D-manno-2-octulosonic acid
(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
(E)-3-(3,5-dimethoxy-4-phenylpropionyloxyphenyl)prop-2-enol acetate|dichrocephol D
5-beta-D-glucopyranosyloxy-7-hydroxy-2-isopropylchromanone
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-acetylamino-7-(N-acetyl-2-aminoethylene)-1,4-benzodioxane
(1R,2S,4S)-2-bromo-4-(5-hydroxy-1,5,9-trimethyldeca-1,3,8-trienyl)-1-methylcyclohexanol|rogioldiol D
(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
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
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].
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846833]
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]
Ala Ala His Ser
Ala Ala Ser His
Ala Gly His Thr
Ala Gly Thr His
Ala His Ala Ser
Ala His Gly Thr
Asp Gly Gly His
Asp Gly His Gly
Asp Gly Pro Pro
Asp His Gly Gly
Asp Pro Gly Pro
Asp Pro Pro Gly
Gly Asp Gly His
Gly Asp His Gly
Gly Asp Pro Pro
Gly Gly Asp His
Gly Gly His Asp
Gly His Asp Gly
Gly His Gly Asp
Gly Pro Asp Pro
Gly Pro Pro Asp
His Asp Gly Gly
His Gly Asp Gly
His Gly Gly Asp
Pro Asp Gly Pro
Pro Asp Pro Gly
Pro Gly Asp Pro
Pro Gly Pro Asp
Pro Pro Asp Gly
Pro Pro Gly Asp
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].
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
methyl 4-((4-(tert-butoxycarbonyl)piperazinyl)sulfonyl)benzoate
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
3-(3-hydroxypropoxy)propan-1-ol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid
[2-BENZYL-[(2-METHOXY-BENZENESULFONYL)-AMINO]-ETHYL]-DIMETHYLAMINE HYDROCHLORIDE
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
4-(3-CARBOXY-BENZENESULFONYL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[[2(or 3)-(phenylmethyl)[1,1-biphenyl]-4-yl]oxy]-,sodium salt
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
ethyl 2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
bis(ethyl acetoacetato)(2,4-pentanedionato)aluminium
(4R,12aS)-3,4,6,8,12,12a-Hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
Methyl 2-deoxy-beta-D-erythro-pentopyranoside bis(4-methylbenzoate)
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))
dimethyl-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]azanium,2-hydroxy-2-oxoacetate
Elafibranor
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Elafibranor (GFT505) is a PPARα/δ agonist with EC50s of 45 and 175 nM, respectively.
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-{[4-(1-Cyclopropyl-2-Methyl-1h-Imidazol-5-Yl)pyrimidin-2-Yl]amino}-N-Methylbenzenesulfonamide
Sarizotan hydrochloride
C26170 - Protective Agent > C1509 - Neuroprotective Agent
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
2-[(4,7-Dimethyl-2-quinazolinyl)thio]-1,2-diphenylethanone
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
N-{3-Methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
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
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester
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
1-(Diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
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
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
2-[[2-Furanyl(oxo)methyl]amino]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] 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
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
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(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
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(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
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
Methyl 2-(N-((bornane-10,2-sultam)-12-carbamoyl)amino)-4-methyl-4-pentenoate
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
(3s,6s)-13-chloro-6,14-dihydroxy-16-methoxy-3-methyl-4,5,6,7,8,9,10,12-octahydro-3h-2-benzoxacyclotetradecine-1,11-dione
9-[(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy]-4-methoxyfuro[3,2-g]chromen-7-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
[(3ar,11as)-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-6-yl]methyl (2r)-3-chloro-2-hydroxy-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
(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
(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
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"}