Exact Mass: 352.1171
Exact Mass Matches: 352.1171
Found 500 metabolites which its exact mass value is equals to given mass value 352.1171,
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
savinin
A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2.
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.
Cyclocommunol
Cyclocommunol is an extended flavonoid. Cyclocommunol is a natural product found in Artocarpus altilis with data available. Cyclocommunol is found in breadfruit. Cyclocommunol is isolated from the root bark of Artocarpus communi (breadfruit). Isolated from the root bark of Artocarpus communi (breadfruit). Cyclocommunol is found in breadfruit and fruits.
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.
Citrusinol
Citrusinol is an extended flavonoid. Citrusinol is a natural product found in Phyllodium pulchellum, Citrus nobilis, and other organisms with data available. Citrusinol is found in citrus. Citrusinol is isolated from root bark of king orange (Citrus nobilis). Isolated from root bark of king orange (Citrus nobilis). Citrusinol is found in citrus.
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.
Lupinisoflavone A
Isolated from Cajanus cajan (pigeon pea). Lupinisoflavone A is found in pigeon pea, pulses, and white lupine. Lupinisoflavone A is found in pigeon pea. Lupinisoflavone A is isolated from Cajanus cajan (pigeon pea).
Cycloartocarpesin
Cycloartocarpesin is found in fruits. Cycloartocarpesin is isolated from Artocarpus heterophyllus (jackfruit). Isolated from Artocarpus heterophyllus (jackfruit). Cycloartocarpesin is found in jackfruit and fruits.
Semilicoisoflavone B
Semilicoisoflavone B is found in root vegetables. Semilicoisoflavone B is a constituent of licorice (Glycyrrhiza sp.) Constituent of licorice (Glycyrrhiza species). Semilicoisoflavone B is found in root vegetables.
Parvisoflavone A
Parvisoflavone A is found in pulses. Parvisoflavone A is isolated from Phaseolus aureus (mung bean). Isolated from Phaseolus aureus (mung bean). Parvisoflavone A is found in pulses.
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.
3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one
3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is found in pulses. 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is isolated from seedlings of Cajanus cajan (pigeon pea). Isolated from seedlings of Cajanus cajan (pigeon pea). 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is found in pulses.
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].
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 .
Rubiginone D2
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
6-(2,4,5-Trimethoxyphenyl)-7H-furo[3,2-g][1]benzopyran-7-one
Pervilline
5-Hydroxy-4-methoxy-6,6-dimethylpyrano[2,3:7,8]flavanone
3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene
Epoxyobovatachalcone
(+)-Tephrosone
A member of the class of chalcones isolated from Tephrosia purpurea and has been shown to exhibit antineoplastic activity.
3,5,4-Trihydroxy-6,6-dimethylpyrano[2,3:7,6]flavone
Licoisoflavone B
Licoisoflavone B is an isoflavone[1]. Licoisoflavone B inhibits lipid peroxidation with an IC50 of 2.7 μM. Licoisoflavone B is an isoflavone[1]. Licoisoflavone B inhibits lipid peroxidation with an IC50 of 2.7 μM.
Parvisoflavone B
Sophoraisoflavone A
1-methoxyphaseollin
Neorauflavene
Neorauflavene is a natural product found in Neorautanenia mitis and Neorautanenia amboensis with data available.
Cycloartocarpesin
Cyclocommunol
Lupinisoflavone A
Semilicoisoflavone B
A member of the class of 7-hydroxyisoflavones that is 2,2-dimethyl-2H,4H-3,6-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8. It has been isolated from Glycyrrhiza uralensis.
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].
2.4-dihydroxy-3-methoxy-2,2-dimethylpyrano(5,6:5,4)chalcone|3-O-methylabyssinone A
(3-hydroxy-5-oxo-4-phenyl-5H-furan-2-ylidene)-(2-methoxy-phenyl)-acetic acid methyl ester|leprapinic acid|Leprapinsaeure
2,7-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)isoflavone
(2R)-2-beta-D-glucopyranosyloxy-2-(2-methylpropyl)butanedioic acid|dactylorhin C
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
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
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
Phosphonium,2-buten-1-yltriphenyl-, chloride (1:1)
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
6-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[3,2-b]pyridine
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
4-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
5-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
azanium,(Z)-4-amino-4-oxobut-2-enoate,(Z)-but-2-enedioic acid,styrene
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
2-Bromo-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
dimethyl 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylate
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
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
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
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
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
N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
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
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
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]-
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
(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
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
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
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
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
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"}
