Exact Mass: 352.1212
Exact Mass Matches: 352.1212
Found 500 metabolites which its exact mass value is equals to given mass value 352.1212,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sudan_III
Sudan III is a bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. It has a role as a fluorochrome, a histological dye and a carcinogenic agent. It is a member of azobenzenes, a bis(azo) compound and a member of naphthols. It is functionally related to a 2-naphthol. D004396 - Coloring Agents
Hexythiazox
17beta-Estradiol 3-sulfate
17beta-Estradiol 3-sulfate, also known as estradiol 3-sulfuric acid or estradiol-17beta 3-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. 17beta-Estradiol 3-sulfate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. The estrogen patch is a delivery system for estradiol used as hormone replacement therapy to treat the symptoms of menopause, such as hot flashes and vaginal dryness, and to prevent osteoporosis. Originally marketed as Vivelle(Novartis), it was discontinued in 2003 and reintroduced in a smaller form as Vivelle-Dot. Although estrogen is given transdermally rather than in the standard oral tablets, the estrogen patch carries similar risks and benefits as more conventional forms of estrogen-only hormone replacement therapy. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17beta-Estradiol 3-phosphate
Penicilloic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams Penicilloic acid is a metabolite of penicillin v; penicillin g.
Moschamine
N-feruloylserotonin is a member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin. It has a role as a plant metabolite. It is a member of hydroxyindoles, a member of cinnamamides, a member of phenols, an aromatic ether and a secondary carboxamide. It is functionally related to a ferulic acid. Moschamine is a natural product found in Centaurea arenaria, Phyllostachys reticulata, and other organisms with data available. Alkaloid from Carthamus tinctorius (safflower). Nb-trans-Feruloylserotonin is found in fats and oils and herbs and spices. Moschamine is found in fats and oils. Moschamine is an alkaloid from Carthamus tinctorius (safflower). A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin. N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1]. N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1].
Gancaonin G
Gancaonin G is a member of isoflavanones. Gancaonin G is a natural product found in Glycyrrhiza, Glycyrrhiza glabra, and other organisms with data available. Gancaonin G is found in herbs and spices. Gancaonin G is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin G is found in herbs and spices.
Triflupromazine
Triflupromazine is only found in individuals that have used or taken this drug. It is a phenothiazine used as an antipsychotic agent and as an antiemetic. [PubChem]Triflupromazine binds to the dopamine D1 and dopamine D2 receptors and inhibits their activity. The mechanism of the anti-emetic effect is due predominantly to blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger zone (CTZ) and vomiting centre. Triflupromazine blocks the neurotransmitter dopamine and the vagus nerve in the gastrointestinal tract. Triflupromazine also binds the muscarinic acetylcholine receptors (M1 and M2) and the tryptamine D receptors (5HT2B). N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Gancaonin M
Gancaonin M is found in herbs and spices. Gancaonin M is isolated from Glycyrrhiza uralensis (Chinese licorice). Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin M is found in herbs and spices.
Gancaonin A
Gancaonin A is found in herbs and spices. Gancaonin A is isolated from Glycyrrhiza uralensis (Chinese licorice). Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin A is found in herbs and spices.
Xanthohumol C
Xanthohumol C is found in alcoholic beverages. Xanthohumol C is a constituent of the female inflorescence of hops (Humulus lupulus)
Citrunobin
Constituent of Citrus sinensis (orange) and Citrus nobilis (King orange). Citrunobin is found in sweet orange and citrus. Citrunobin is found in citrus. Citrunobin is a constituent of Citrus sinensis (orange) and Citrus nobilis (King orange)
Lansiumarin A
Lansiumarin A is found in fruits. Lansiumarin A is a constituent of Clausena lansium (wampee) Constituent of Clausena lansium (wampee). Lansiumarin A is found in fruits.
Artonin U
Artonin U is found in fruits. Artonin U is a constituent of the bark of Artocarpus heterophyllus (jackfruit). Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin U is found in jackfruit and fruits.
Glyurallin A
Glyurallin A is found in herbs and spices. Glyurallin A is a constituent of Glycyrrhiza uralensis (Chinese licorice)
Cotinine glucuronide
Cotinineglucuronide is a natural human metabolite of Cotinine generated in the liver by UDP glucuonyltransferase. A cotinine derviative that is dervied through glucuronidation by UDP-glucuronosyltransferases (UGTs) in the liver. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
1-Methoxyphaseollin
1-Methoxyphaseollin is found in herbs and spices. 1-Methoxyphaseollin is a constituent of the roots of Glycyrrhiza glabra (licorice). Constituent of the roots of Glycyrrhiza glabra (licorice). 1-Methoxyphaseollin is found in tea and herbs and spices.
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
Estradiol 17-sulfate
Roxadustat
B - Blood and blood forming organs > B03 - Antianemic preparations C471 - Enzyme Inhibitor Roxadustat is an orally active hypoxia-inducible factor (HIF) prolyl-hydroxylase (PHD) inhibitor (HIF-PHI) that promotes erythropoiesis through increasing endogenous erythropoietin, improving iron regulation, and reducing hepcidin[1].
N-[2-(5-Hydroxy-1H-indol-3-YL)ethyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamide
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
[(8R,9S,13S,14S)-13-Methyl-17-oxo-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Cerasin
Cerasin, also known as sudan iii or d and c red #17, is a member of the class of compounds known as azobenzenes. Azobenzenes are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. Cerasin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cerasin can be found in sour cherry, which makes cerasin a potential biomarker for the consumption of this food product. Uses include: An alternative to beeswax in ointments (Historic) Laboratory-supply bottles for small amounts of hydrofluoric acid, which were made of ceresin wax; this was before polyethylene became commonplace .
Pervillinine
2-(1-Methylvinyl)-4-hydroxy-7-(3,4-dihydroxyphenyl)-2,3,5,6,7,8-hexahydronaphtho[2,3-b]furan-5-one
Neorautane
2,2-Dimethyl-5-hydroxy-8-(3,4-dihydroxyphenyl)-6,7,8,9-tetrahydro-2H-naphtho[2,3-b]pyran-6-one
Pervilline
5-Hydroxy-4-methoxy-6,6-dimethylpyrano[2,3:7,8]flavanone
Epoxyobovatachalcone
(+)-Tephrosone
A member of the class of chalcones isolated from Tephrosia purpurea and has been shown to exhibit antineoplastic activity.
1-methoxyphaseollin
Neorauflavene
Neorauflavene is a natural product found in Neorautanenia mitis and Neorautanenia amboensis with data available.
PK 11195
CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9620; ORIGINAL_PRECURSOR_SCAN_NO 9615 D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9662; ORIGINAL_PRECURSOR_SCAN_NO 9657 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9671 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9711; ORIGINAL_PRECURSOR_SCAN_NO 9708 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9728; ORIGINAL_PRECURSOR_SCAN_NO 9727 CONFIDENCE standard compound; INTERNAL_ID 676; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9742; ORIGINAL_PRECURSOR_SCAN_NO 9741
FG-4592
B - Blood and blood forming organs > B03 - Antianemic preparations C471 - Enzyme Inhibitor Roxadustat is an orally active hypoxia-inducible factor (HIF) prolyl-hydroxylase (PHD) inhibitor (HIF-PHI) that promotes erythropoiesis through increasing endogenous erythropoietin, improving iron regulation, and reducing hepcidin[1].
2,2-Dimethyl-4,6-bis(acetoxymethyl)-5-(2-chloroethyl)indan
2.4-dihydroxy-3-methoxy-2,2-dimethylpyrano(5,6:5,4)chalcone|3-O-methylabyssinone A
2,7-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)isoflavone
(2R)-2-beta-D-glucopyranosyloxy-2-(2-methylpropyl)butanedioic acid|dactylorhin C
1alpha-hydroxy-6beta-isobutyroxy-9-oxo-10beta-H-furanoeremophilane
O-beta-D-Glucopyranoside-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone
alisiaquinone A
An organic heteropentacyclic compound comprising (2aS,5aR,8aR,8bS)-8a-hydroxy-2a,5a-dimethyldecahydro-8H-naphtho[1,8-bc]furan-8-one ortho-fused to C-6 and C-7 of 1,4-naphthoquinone. An antiplasmodial drug isolated from New Caledonian deep water sponge.
(2Z)-3-hydroxy-1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-phenylprop-2-en-1-one|demethylpraecansone B|demethylpraecansone-B
2-hydroxy-3,4-methylenedioxy-4-gamma,gamma-dimethylallyloxychalcone
5-(2S,1R)-hydroxy-2-(1,2-dihydroxy-4-oxo-cyclohexyl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
(E)-3-chloro-2,9-dihydroxyheptadeca-10,16-diene-4,6-diynyl acetate|asterynes A
6-(3-hydroxyphenethyl)-4-methoxydiphenyl-2,2,5-triol
(2R,3R)-3-hydroxy-5-methoxy-6,6-dimethylpyrano[2,3:7,8]flavanone
[2-hydroxy-3-(3-phenylprop-2-enoyloxy)propyl] 3-phenylprop-2-enoate
1,7-bis(4-Hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
3,6-dimethoxy-4,5-methylenedioxy-2,7-cycloligna-7,7-dien-4-ol|pycnanthulignene D
(E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one|1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxy-3-methoxyphenyl)-propenone|3-Methoxy-4-hydroxylonchocarpin|4-hydroxy-3-methoxylonchocarpin|polyarvin|Pongachalcone II|Pongochalkon-II
Erylatissin A
A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3 positions, a methoxy group at the 4 position and a prenyl group at position 5. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities.
(8R)-5-methoxy-3,4,3,4-dimethylenedioxy-Delta7,8-2,7,8,8-neolignan
1,2,3,4-Tetrahydro-2,6-dihydroxy-2,8-dimethyl-7-methoxynaphthacene-5,12-dione
1-(5-hydroxy-7-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenyl-propane-1,3-dione|7-Methoxy,5-de-Me-Purpurenone|demethyl-praecanson B, keto form
(E)-3-(benzo[d][1,3]dioxol-5-yl)-1-[2-hydroxy-4-(3-methylbut-2-enyloxy)phenyl]prop-2-en-1-one|2-hydroxy-3,4-methylenedioxy-4-(gamma,gamma-dimethylallyloxy)chalcone|2-hydroxy-3,4-methylenedioxy-4-prenyloxychalcone
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
triflupromazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Benzylpenicilloic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based: Match]
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based on: CCMSLIB00000848099]
Cys Gly Ser Ser
Cys Ser Gly Ser
Cys Ser Ser Gly
Gly Cys Ser Ser
Gly Gly Gly Tyr
Gly Gly Tyr Gly
Gly Ser Cys Ser
Gly Ser Ser Cys
Gly Tyr Gly Gly
Ser Cys Gly Ser
Ser Cys Ser Gly
Ser Gly Cys Ser
Ser Gly Ser Cys
Ser Ser Cys Gly
Ser Ser Gly Cys
Tyr Gly Gly Gly
Glyurallin A
Moschamine
N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1]. N-Feruloylserotonin, an antioxidative component and bioactive serotonin derivative, from the Seed of Carthamus tinctorius L., ameliorates atherosclerosis and distensibility of the aortic wall in Kurosawa and Kusanagi-hypercholesterolemic (KHC) rabbits[1].
Phosphonium,2-buten-1-yltriphenyl-, chloride (1:1)
(S)-1-(((9H-FLUOREN-9-YL)METHOXY)CARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
Tinoridine hydrochloride
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
L-Glutamic acid,N-(4-nitrobenzoyl)-, 1,5-diethyl ester
1-(2-Hydroxyethyl)-3,3-Dimethyl-6-Nitrospiro[1(2H)-Benzopyran-2,2-Indoline]
METHYL 5-OXO-6-(2-TRIFLUOROMETHYLPHENYLAMINO)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
(s)-3-boc-amino-5-(carboxymethyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one
Leniquinsin
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-8-methoxy-1,3,3-trimethyl-6-nitro-
azanium,(Z)-4-amino-4-oxobut-2-enoate,(Z)-but-2-enedioic acid,styrene
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)BENZO[D]THIAZOL-2-AMINE
6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazine-4,4-piperidine]-1-carboxylic acid tert-butyl ester
1-Methyl-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride
[3-(2,6-diphenylpyrimidin-4-yl)phenyl]boronic acid
1,2-Di-O-acetyl-5-Benzoyl-3-O-Methyl-D-ribofuranose
methyl 2-(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxamido)acetate
dimethyl 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylate
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-methyl-1H-pyrazol-5-YL]-6-ethylbenzene-1,3-diol
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
2-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid
IOX2 is a specific prolyl hydroxylase-2 (PHD2) inhibitor with IC50 of 22 nM. IOX2 regulates platelet function and arterial thrombosis by upregulating HIF-1α expression and inhibiting ROS production. IOX2 can be used in the study of thrombotic diseases[1][2].
(Z)-2-(4-methylpiperidin-1-yl)-5-((3-phenyl-1H-pyrazol-4-yl)methylene)thiazol-4(5H)-one
9-(Dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone
Estradiol 17-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
1-[[[1-(6-Methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthiourea
2-(1,3-Benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
4-[(1r)-1-Amino-2-(2,5-Difluorophenyl)ethyl]biphenyl-3-Carboxamide
(5e)-14-Chloro-15,17-Dihydroxy-4,7,8,9,10,11-Hexahydro-2-Benzoxacyclopentadecine-1,12(3h,13h)-Dione
(2S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate
2-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydropyran-6-one
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylate
(2-Oxo-3-phosphonooxypropyl) 8-methyl-3-oxodecanoate
(2R,3S,5Z,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-11(18),12,14-triene-4,6,17-trione
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
(3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) hydrogen sulfate
[(8R,9S,13S,14S)-13-Methyl-17-oxo-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
N,N-((1z,3z)-1,4-bis(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
A natural product found in Aspergillus fumigatus and Streptomyces peucetius.
3-chloro-6-methyl-N-[3-(4-morpholinyl)propyl]-1-benzothiophene-2-carboxamide
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide
4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
3-(4-Methoxyphenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
1-[(2-Oxo-1,3-dihydroindol-5-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester
2-(4-(2-methoxyphenoxy)-1H-pyrazol-3-yl)-5-((2-methylallyl)oxy)phenol
1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-furo[3,2-b]pyrrolecarboxylic acid ethyl ester
2-(2-Cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester
4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1H-quinoline-3-carboxaldehyde
N-(2-furanylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
1-methyl-2-spiro[12H-benzimidazolo[1,2-c]quinazoline-6,3-indole]one
4-[[2-(Cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester
Acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester
2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-N-(thiophen-2-ylmethyl)acetamide
1-[[3-(4-Chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-quinolinone
6-[[(6-Methyl-9-indolo[3,2-b]quinoxalinyl)amino]methylidene]-1-cyclohexa-2,4-dienone
2-phenyl-N-(3-pyridinylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
3-chloro-5-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one
Cyclopentanone, 2,5-bis[(4-hydroxy-3-methoxyphenyl)methylene]-
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
N-benzyl-N-isopropyl-N-[4-(trifluoromethoxy)phenyl]urea
(2S,3S,4S,5R)-6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
2-O-acetyl-alpha-D-abequopyranosyl-(1->3)-alpha-D-mannopyranose
A glycosylmannose derivative in which 2-O-acetyl-alpha-D-abequopyranose is linked alpha(1->3) to alpha-D-mannopyranose.
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate
2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-alpha-((phenylacetyl)amino)-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] propanoate
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Estradiol-3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
PK11195
D000970 - Antineoplastic Agents
17beta-Estradiol 17-sulfate
A steroid sulfate obtained by the formal condensation of sulfuric acid with the 17-hydroxy group of 17beta-estradiol.
17beta-Estradiol 3-sulfate
A steroid sulfate obtained by the formal condensation of sulfuric acid with the 3-hydroxy group of 17beta-estradiol.
A-582941 (dihydrochloride)
A-582941 dihydrochloride is a potent, selective and brain-penetrant partial agonist of α7 nAChR, with Kis of 10.8 and 16.7 nM in rat brain membranes and human frontal cortex, respectively. A-582941 dihydrochloride also binds to human 5-HT3 receptor with a Ki of 150 nM. A-582941 has the potential for cognitive deficits associated with various neurodegenerative and psychiatric disorders research[1][2].
JNJ-46778212
JNJ-46778212 (VU 0409551) is an mGlu5 positive allosteric modulator with an EC50 of 260 nM.
N-Acetyldesloratadine
N-Acetyldesloratadine (SCH-37370) is a potent, orally active dual antagonist of platelet-activating factor (PAF) and histamine. N-Acetyldesloratadine inhibits PAF-induced aggregation of human platelets, with an IC50 of 0.6 μM[1].
Ro 10-5824 (dihydrochloride)
Ro 10-5824 dihydrochloride is a selective dopamine D4 receptor partial agonist, with Ki of 5.2 nM.
8-ethyl-2,7,10b-trihydroxy-4a,9-dimethoxy-1h,2h,5h-naphtho[2,1-b]pyran-3,6-dione
6-[(3s)-8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]-2h-1,3-benzodioxol-5-ol
(7r,8s,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1h-isochromen-6-one
17-methoxy-6-(prop-1-en-2-yl)-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,8,14,16,18-hexaen-18-ol
(6s)-6-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,6-dihydropyran-2-one
17-(3-methylbut-2-en-1-yl)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
(8r)-11-hydroxy-2,2-dimethyl-8-(prop-1-en-2-yl)-8,9-dihydro-7h-1,5-dioxatetraphene-6,10-dione
4-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-8-yl)-2,4-dimethoxybutanoic acid
(8s)-8-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7h,8h,9h-cyclohexa[g]chromen-6-one
(9r)-9-[(1s)-1,2-dihydroxy-2-methylpropyl]-2-phenyl-8h,9h-furo[2,3-h]chromen-4-one
1,8-dihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-dione
{6-[(acetyloxy)methyl]-5-(2-chloroethyl)-2,2-dimethyl-1,3-dihydroinden-4-yl}methyl acetate
9-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
2-[(9s)-5,15-dihydroxy-4,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-10-yl]acetonitrile
13-chloro-14,16-dihydroxy-3-methyl-4,7,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(1r,12r,13r,16s,18r)-5-methoxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.0¹,¹⁰.0³,⁸.0¹²,¹⁶]octadeca-3,5,7,10-tetraene-18-carbaldehyde
(2s,3r,4s,5s,6r)-2-[(4,8-dihydroxy-6-methylnaphthalen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
12-imino-8,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,10,13,15-octaene-11,14-diol
(2z)-n-[2-(5-hydroxy-1h-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
7-hydroxy-3-(7-methoxy-2,2-dimethylchromen-6-yl)-2,3-dihydro-1-benzopyran-4-one
5-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-13,14-diol
(2r,11r)-7-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(21),5,7,9,13,15,19-heptaen-20-ol
(1s,5's)-4',5-dihydroxy-5'-methoxy-2,3,6',7'-tetrahydro-1h,5'h-[1,1'-binaphthalene]-4,8'-dione
methyl (2e,3z,5e)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
5-[(3r)-8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]-2,4-dihydroxybenzaldehyde
3-o-acetyl-2-o-(p-hydroxycinnamoyl)-α-l-rhamnose
{"Ingredient_id": "HBIN009023","Ingredient_name": "3-o-acetyl-2-o-(p-hydroxycinnamoyl)-\u03b1-l-rhamnose","Alias": "Ningposide C; 3-o-acetyl-2-o-(p-hydroxycinnamoyl)-alpha-l-rhamnose","Ingredient_formula": "C17H20O8","Ingredient_Smile": "CC1C(C(C(C(O1)O)OC(=O)C=CC2=CC=C(C=C2)O)OC(=O)C)O","Ingredient_weight": "352.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14146;SMIT19034","TCMID_id": "26094;415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10498169","DrugBank_id": "NA"}
5-hydroxy-4'-methoxy-2'',2''-dimethylpyrano-151(7,8:6'',5'')flavanone
{"Ingredient_id": "HBIN011615","Ingredient_name": "5-hydroxy-4'-methoxy-2'',2''-dimethylpyrano-151(7,8:6'',5'')flavanone","Alias": "NA","Ingredient_formula": "C21H20O5","Ingredient_Smile": "CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)CC(O3)C4=CC=C(C=C4)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10399","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anhydronotoptoloxide
{"Ingredient_id": "HBIN016172","Ingredient_name": "anhydronotoptoloxide","Alias": "AC1NSXK2; 4-[(E)-3-methyl-4-(3-prop-1-en-2-yloxiran-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one","Ingredient_formula": "C21H20O5","Ingredient_Smile": "CC(=C)C1C(O1)CC(=CCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14315","TCMID_id": "1279","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-026
{"Ingredient_id": "HBIN016329","Ingredient_name": "anticancer flavonoid pmv70p691-026","Alias": "NA","Ingredient_formula": "C21H20O5","Ingredient_Smile": "CC1(C(C2C(O1)OC3=C2C(=C(C=C3)C(=O)C=CC4=CC=CC=C4)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
