Exact Mass: 388.1706
Exact Mass Matches: 388.1706
Found 500 metabolites which its exact mass value is equals to given mass value 388.1706,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quassin
Bitter constituent of Quassia amara (Surinam quassia) and Picrasma excelsa (Jamaican quassiawood) Quassin is a white bitter, crystalline substance extracted from the quassia tree. It is the bitterest substance found in nature with a bitter threshold of 0.08ppm and it is 50 times more bitter than quinine. Quassin is a triterpenoid. 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione is a natural product found in Picrasma quassioides, Quassia amara, and other organisms with data available. Bitter constituent of Quassia amara (Surinam quassia) and Picrasma excelsa (Jamaican quassiawood)
Cetirizine
Cetirizine is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects. Cetirizine hydrochloride is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3].
12-Hydroxyjasmonic acid glucoside
12-hydroxyjasmonic acid glucoside, also known as tuberonic acid beta-D-glucoside, is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. 12-hydroxyjasmonic acid glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 12-hydroxyjasmonic acid glucoside can be found in potato, which makes 12-hydroxyjasmonic acid glucoside a potential biomarker for the consumption of this food product.
Nisoldipine
Nisoldipine is a 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nisoldipine prevents calcium-dependent smooth muscle contraction and subsequent vasoconstriction. Nisoldipine may be used in alone or in combination with other agents in the management of hypertension. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
7-Epi-12-hydroxyjasmonic acid glucoside
7-Epi-12-hydroxyjasmonic acid glucoside is found in alcoholic beverages. 7-Epi-12-hydroxyjasmonic acid glucoside is isolated from potato leaves (Solanum tuberosum). Isolated from potato leaves (Solanum tuberosum). 7-Epi-12-hydroxyjasmonic acid glucoside is found in alcoholic beverages and potato.
4-(1-Hydroxypropyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-8-(3-methylbutyryl)-2H-1-benzopyran-2-one
Furomammea G
Furomammea G is found in fruits. Furomammea G is obtained from seeds of Mammea americana (mamey
Cyclomammein
Cyclomammein is found in fruits. Cyclomammein is found in seeds of Mammea americana (mamey) Beta-D-Glucose 6 phosphate (b-G6P) is the beta-anomer of glucose-6-phosphate. There are two anomers of glucose 6 phosphate, the alpha anomer and the beta anomer. Specifically, beta-D-Glucose 6-phosphate is glucose sugar phosphorylated on carbon 6. It is a very common metabolite in cells as the vast majority of glucose entering a cell will become phosphorylated in this way. The primary reason for the immediate phosphorylation of glucose is to prevent diffusion out of the cell. The phosphorylation adds a charged phosphate group so the glucose 6-phosphate cannot easily cross the cell membrane. b-G6P is involved in the glycolysis, gluconeogenesis, pentose phosphate, and glycogen and sucrose metabolic pathways [Kegg ID: C01172]. Beta-D-Glucose 6 phosphate can be generated through beta-D-fructose phosphate or alpha-D-glucose 6 phosphate (via glucose-6-phosphate isomerase) or beta-D glucose (via hexokinase). It can then be sent off to the pentose phosphate pathway which generates the useful cofactor NADPH as well as ribulose 5-phosphate, a carbon source for the synthesis of other molecules. Alternately if the cell needs energy or carbon skeletons for synthesis then glucose 6-phosphate is targeted for glycolysis. A third route is to have glucose 6 phosphate stored or converted to glycogen, especially if blood glucose levels are high
Fragransin D1
Fragransin D2 is found in herbs and spices. Fragransin D2 is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Fragransin D2 is found in nutmeg and herbs and spices.
Fragransin D3
Fragransin D3 is found in nutmeg. Fragransin D3 is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Fragransin D3 is found in nutmeg.
Pyranomammea C
Pyranomammea C is found in fruits. Pyranomammea C is a constituent of Mammea americana (mamey). Constituent of Mammea americana (mamey). Pyranomammea C is found in fruits.
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid is found in potato. beta-D-Glucopyranosyl-11-hydroxyjasmonic acid is a constituent of Solanum tuberosum (potato). Constituent of Solanum tuberosum (potato). 11-Hydroxyjasmonic acid glucoside is found in potato.
Cycloneomammein
Cycloneomammein is found in fruits. Cycloneomammein is a constituent of seeds of Mammea americana (mamey) Beta-D-Glucose 6 phosphate (b-G6P) is the beta-anomer of glucose-6-phosphate. There are two anomers of glucose 6 phosphate, the alpha anomer and the beta anomer. Specifically, beta-D-Glucose 6-phosphate is glucose sugar phosphorylated on carbon 6. It is a very common metabolite in cells as the vast majority of glucose entering a cell will become phosphorylated in this way. The primary reason for the immediate phosphorylation of glucose is to prevent diffusion out of the cell. The phosphorylation adds a charged phosphate group so the glucose 6-phosphate cannot easily cross the cell membrane. b-G6P is involved in the glycolysis, gluconeogenesis, pentose phosphate, and glycogen and sucrose metabolic pathways [Kegg ID: C01172]. Beta-D-Glucose 6 phosphate can be generated through beta-D-fructose phosphate or alpha-D-glucose 6 phosphate (via glucose-6-phosphate isomerase) or beta-D glucose (via hexokinase). It can then be sent off to the pentose phosphate pathway which generates the useful cofactor NADPH as well as ribulose 5-phosphate, a carbon source for the synthesis of other molecules. Alternately if the cell needs energy or carbon skeletons for synthesis then glucose 6-phosphate is targeted for glycolysis. A third route is to have glucose 6 phosphate stored or converted to glycogen, especially if blood glucose levels are high
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol is from Myristica fragrans (nutmeg
Pyranomammea B
Pyranomammea B is found in fruits. Pyranomammea B is a constituent of Mammea americana (mamey). Constituent of Mammea americana (mamey). Pyranomammea B is found in fruits.
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside is a constituent of Scotch pine (Pinus sylvestris) bark. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside can be used as famine food. Constituent of Scotch pine (Pinus sylvestris) bark. Famine food
Bepotastine
Bepotastine is a non-sedating, selective antagonist of the histamine 1 (H1) receptor. Bepotastine was approved in Japan for use in the treatment of allergic rhinitis and uriticaria/puritus in July 2000 and January 2002, respectively, and is marketed by Tanabe Seiyaku Co., Ltd. under the brand name Talion®. It is currently undergoing trials in the U.S.
Levocetirizine
Levocetirizine is a second-generation piperazine H1-antihistamine. It has also been labeled as a third-generation antihistamine because it is developed from a second-generation antihistamine (cetirizine). R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
2-Hexynyl-5'-N-ethylcarboxamidoadenosine
N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents
m-Nisoldipine
Methyl prednisolonate
1,3,7-Trimethyl-8-(1,3,7-trimethyl-2,6-dioxo-8H-purin-9-yl)purine-2,6-dione
trifluoroacetyl-l-lysyl-l-alaninanilide
3-O-Methyl 5-O-(2-methylpropyl) (4S)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
GomisinJ
Gomisin J is a natural product found in Kadsura coccinea, Kadsura heteroclita, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2].
Pseudolaric acid A
Pseudolaric acid A is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric Acid A is a diterpene acid isolated from Pseudolarix kaempferi, has antifungal, cytotoxic and antifertile activities[1][2][3]. Pseudolaric Acid A is a diterpene acid isolated from Pseudolarix kaempferi, has antifungal, cytotoxic and antifertile activities[1][2][3].
MaoecrystalA
maoecrystal A is a natural product found in Isodon and Isodon eriocalyx with data available. Maoecrystal A is a compound isolated from leaves of Rabdosia eriocalyx[1].
Gomisin
Gomisin J is a natural product found in Kadsura coccinea, Kadsura heteroclita, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2]. Gomisin J is a small molecular weight lignan found in Schisandra chinensis and has been demonstrated to have vasodilatory activity[1]. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells. gomisin J has potential benefits in treating nonalcoholic fatty liver disease[2].
Isocalolongic acid
Rubrisandrin A(2:1 Inseparable mixture of regeoisomers)
A natural product found in Schisandra rubriflora.
[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9aS*]]-5-(acetyloxy)-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid
Caesalmin B
Caesalmin B is a natural product found in Guilandina bonduc and Caesalpinia minax with data available.
[3aR-[3aR*,4R*(E),6E,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-[(acetyloxy)methyl]-2-butenoic acid
6-Hydroxy-1,7-dioxo-3,20-epoxykaur-16-en-15-yl acetate
ent-3beta-Acetoxy-15,16-epoxy-8(17),13(16),14-labdatrien-18-oic acid
1,2,11,12-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-3,10-diol
2-methoxy-1-[7-(2-methoxy-but-2-enoyl)-3,4,5,6-tetramethyl-2h,7h-pyrano[2,3-b]pyran-2-yl]-but-2-en-1-one
Isoapetalic acid
N-Benzyl-L-prolineethylester is a natural product found in Calophyllum blancoi and Calophyllum calaba with data available.
Kanzonol E
Spinoflavanone A
Flemiculosin
(4E,8E)-10-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyl-4,8-decadienoic acid
7-Formyl-3-methylene-6E-octen-1,5-diol-1-O-beta-D-(2-O-acetylglucopyranoside)|7-Formyl-3-methylene-6E-octen-1,5-diol-1-O-beta-D-<2-O-acetylglucopyranoside>
2beta-hydroxy-6-p-hydroxybenzoyllancerodiol|6-(4-Hydroxybenzoyl)-(1beta,2beta,4beta,5alpha,6alpha)-2,4,6-Trihydroxy-7-daucen-9-one
dimethyl 15,16-epoxy-12-oxo-3,13(16),14-ent-clerodatriene-17,18-dicarboxylate
7alpha-acetoxy-ent-clerodan-3,13-dien-18,19:16,15-diolide|7alpha-Acetoxy-neo-clerodan-3,13-dien-18,19:16,15-diolide
4,4-dihydroxy-3,3-dimethoxy-9-ethoxy-9,9-epoxylignan
salonitenolide 8-O-(1-acetoxyethylacrylate)|salonitenolide 8-O-<1-acetoxyethylacrylate>
1-<2,4-diacetoxy-3,5-di-(3-methylbut-2-enyl)-6-methoxy>phenylethanone
15-Acetoxy - Wederegiolide|15beta-acetoxywederegiolide
(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-4b,5,6,7,8,8a,9,10-octahydro-9,10-dihydroxy-2,4b,7-trimethyl-8-methylidenspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aS,9S,10S)-3-Acetoxy-4b,5,6,7,8,8a,9,10-octahydro-9,10-dihydroxy-2,4b,7-trimethyl-8-methylidenspiro-1,4(3H)-dion
6beta-acetoxy-3alpha-angeloyloxy-10alphaH-furanoeremophil-9-one
(1S,4R,5S,6R,7R)-3-allyl-4-hydroxy-1-methoxy-(3,4,5-trimethoxyphenyl)-7-methyl-8-oxobicyclo<3.2.1>oct-2-ene (macrophyllin-B)|macrophyllin B
rel-(2S,3S,5R)-5-allyl-5-methoxy-2-(3,4,5-trimethoxyphenyl)-3-methyl-2,3,5,6-tetrahydro-6-oxobenzofuran
9alpha,15-dihydroxy-9-O-acetyl-15-O-senecioloxylgermacr-1(10),4(5),11(13)-triene-6alpha,12-olide
4-hydroxy-2-[(3,4-methylenedioxyphenyl)nonanoyl]cyclohexane-1,3-dione
2-hydroxy-6-methoxy-6,6-dimethyl-chromeno-[4,3:2,3]-chalcone
3-(3,4,5-trimethoxyphenyl)propyl beta-D-glucopyranoside|dihydrosyringenin 9-O-beta-D-glucopyranoside
13-acetoxy-3beta-tigloyl-germacra-1(10)E,4E,7(11)-trien-12,6alpha-olide
8alpha-acetoxy-9beta-angeloyloxy-germacra-1E,4E,11(13)-trien-12,6alpha-olide
(4bS,8aS)-2-(2-Acetoxypropyl)-4b,5,6,7,8,8a-hexahydro-1,4-dihydroxy-4b,8,8-trimethylphenanthren-3,9-dion
(7E)-4-hydroxy-3,3,5,5-tetramethoxy-8,4-oxyneolignan
1alpha-acetoxy-6beta-angeloyloxy-10alphaH-9-oxofuranoeremophilane
8,8-Dimethyl-3-[4-(3-methylbut-2-enyloxy)phenyl]-8H-pyrano[2,3-f]chromen-4-one
8beta-angeloyloxy-9alpha-ethoxy-14-oxo-acanthospermolide
6alpha-acetoxy-3alpha,4alpha,15,16-diepoxy-cleroda-13(16),14-dien-12,10alpha,19-acetal|parvitexin A
1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-dien-15-one|isoadenolin I
2alpha,3alpha-epoxy-2,3,7,8alpha-tetrahydropenianthic acid methyl ester
Delta7-9-hydroxy-3,4,35-tetramethoxy-8.O.4-neolignan
2beta-acetoxy-ent-clerodan-3,13-dien-18,19:16,15-diolide|2beta-Acetoxy-neo-clerodan-3,13-dien-18,19:16,15-diolide
2beta-acetoxy-6beta-angeloyloxy-1beta,10beta-epoxyfuroeremophilane
1-Ac-(ent-1alpha,5alpha,6beta,12xi)-15,16-Epoxy-1,12-dihydroxy-3,13(16)14-clerodatrien-18,6-olide|1beta-acetoxy-12-hydroxy-15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,16-olide
7, 7a-Dihydro-7a[1-methyl-2-(3, 4, 5-trimethoxyphenyl)ethyl]6-(2-propenyl)-1, 3-benzodioxol-5(6H)-one
2alpha-hydroxy-14-isobutyryloxy-cacalol propionate
(Z)-5xi-hydroxy-6xi,7xi,8xi-triacetoxydodeca-2-enoic acid
2-O-Acetyl-1-O-(3-methylbutanoyl)-6-O-tigloyl-beta-D-glucopyranose
Lamuran
cetirizine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Cetirizine is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth.; A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.; Cetirizine hydrochloride is a medication used for the treatment of allergies, hay fever, angioedema, and hives. It is a second-generation H1-receptor antagonist antihistamine and works by blocking H1 histamine receptors. It is a major metabolite of hydroxyzine, and has the same basic side effects, including dry mouth. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4258; ORIGINAL_PRECURSOR_SCAN_NO 4255 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4282; ORIGINAL_PRECURSOR_SCAN_NO 4280 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4227; ORIGINAL_PRECURSOR_SCAN_NO 4225 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4251 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4259; ORIGINAL_PRECURSOR_SCAN_NO 4258 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4250 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8478; ORIGINAL_PRECURSOR_SCAN_NO 8477 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8516; ORIGINAL_PRECURSOR_SCAN_NO 8514 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8525; ORIGINAL_PRECURSOR_SCAN_NO 8524 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8560; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8566; ORIGINAL_PRECURSOR_SCAN_NO 8564 CONFIDENCE standard compound; INTERNAL_ID 535; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8574; ORIGINAL_PRECURSOR_SCAN_NO 8573 CONFIDENCE standard compound; INTERNAL_ID 2124 CONFIDENCE standard compound; INTERNAL_ID 8582 CONFIDENCE standard compound; INTERNAL_ID 4110 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2772 Cetirizine, a second-generation antihistamine and the carboxylated metabolite of hydroxyzine, is a specific, orally active and long-acting histamine H1-receptor antagonist. Cetirizine marks antiallergic properties and inhibits eosinophil chemotaxis during the allergic response[1][2][3]. Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
nisoldipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
C18H28O9_Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)
Levocetirizine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Levocetirizine ((R)-Cetirizine) is a third-generation peripheral H1-receptor antagonist. Levocetirizine is an antihistaminic agent which is the R-enantiomer of Cetirizine. Levocetirizine has a higher affinity for the histamine H1-receptor than (S)-Cetirizine and can effectively treat allergic rhinitis and chronic idiopathic urticaria[1].
Ala Ala Met Pro
Ala Ala Asn Asn
Ala Ala Pro Met
Ala Cys Pro Val
Ala Cys Val Pro
Ala Asp Pro Ser
Ala Asp Ser Pro
Ala Gly Asn Gln
Ala Gly Gln Asn
Ala Met Ala Pro
Ala Met Pro Ala
Ala Asn Ala Asn
Ala Asn Gly Gln
Ala Asn Asn Ala
Ala Asn Gln Gly
Ala Pro Ala Met
Ala Pro Cys Val
Ala Pro Asp Ser
Ala Pro Met Ala
Ala Pro Ser Asp
Ala Pro Val Cys
Ala Gln Gly Asn
Ala Gln Asn Gly
Ala Ser Asp Pro
Ala Ser Pro Asp
Ala Val Cys Pro
Ala Val Pro Cys
Cys Ala Pro Val
Cys Ala Val Pro
Cys Gly Ile Pro
Cys Gly Leu Pro
Cys Gly Pro Ile
Cys Gly Pro Leu
Cys Ile Gly Pro
Cys Ile Pro Gly
Cys Leu Gly Pro
Cys Leu Pro Gly
Cys Pro Ala Val
Cys Pro Gly Ile
Cys Pro Gly Leu
Cys Pro Ile Gly
Cys Pro Leu Gly
Cys Pro Val Ala
Cys Val Ala Pro
Cys Val Pro Ala
Asp Ala Pro Ser
Asp Ala Ser Pro
Asp Gly Pro Thr
Asp Gly Thr Pro
Asp Pro Ala Ser
Asp Pro Gly Thr
Asp Pro Ser Ala
Asp Pro Thr Gly
Asp Ser Ala Pro
Asp Ser Pro Ala
Asp Thr Gly Pro
Asp Thr Pro Gly
Glu Gly Pro Ser
Glu Gly Ser Pro
Glu Pro Gly Ser
Glu Pro Ser Gly
Glu Ser Gly Pro
Glu Ser Pro Gly
Gly Ala Asn Gln
Gly Ala Gln Asn
Gly Cys Ile Pro
Gly Cys Leu Pro
Gly Cys Pro Ile
Gly Cys Pro Leu
Gly Asp Pro Thr
Gly Asp Thr Pro
Gly Glu Pro Ser
Gly Glu Ser Pro
Gly Gly Gln Gln
Gly Ile Cys Pro
Gly Ile Pro Cys
Gly Leu Cys Pro
Gly Leu Pro Cys
Gly Asn Ala Gln
Gly Asn Gln Ala
Gly Pro Cys Ile
Gly Pro Cys Leu
Gly Pro Asp Thr
Gly Pro Glu Ser
Gly Pro Ile Cys
Gly Pro Leu Cys
Gly Pro Ser Glu
Gly Pro Thr Asp
Gly Gln Ala Asn
Gly Gln Gly Gln
Gly Gln Asn Ala
Gly Gln Gln Gly
Gly Ser Glu Pro
Gly Ser Pro Glu
Gly Thr Asp Pro
Gly Thr Pro Asp
Ile Cys Gly Pro
Ile Cys Pro Gly
Ile Gly Cys Pro
Ile Gly Pro Cys
Ile Pro Cys Gly
Ile Pro Gly Cys
Leu Cys Gly Pro
Leu Cys Pro Gly
5-ethyl-5-(pentan-2-yl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Leu Gly Cys Pro
Leu Gly Pro Cys
Leu Pro Cys Gly
Leu Pro Gly Cys
Met Ala Ala Pro
Met Ala Pro Ala
Met Pro Ala Ala
Asn Ala Ala Asn
Asn Ala Gly Gln
Asn Ala Asn Ala
Asn Ala Gln Gly
Asn Gly Ala Gln
Asn Gly Gln Ala
Asn Asn Ala Ala
Asn Gln Ala Gly
Asn Gln Gly Ala
Pro Ala Ala Met
Pro Ala Cys Val
Pro Ala Asp Ser
Pro Ala Met Ala
Pro Ala Ser Asp
Pro Ala Val Cys
Pro Cys Ala Val
Pro Cys Gly Ile
Pro Cys Gly Leu
Pro Cys Ile Gly
Pro Cys Leu Gly
Pro Cys Val Ala
Pro Asp Ala Ser
Pro Asp Gly Thr
Pro Asp Ser Ala
Pro Asp Thr Gly
Pro Glu Gly Ser
Pro Glu Ser Gly
Pro Gly Cys Ile
Pro Gly Cys Leu
Pro Gly Asp Thr
Pro Gly Glu Ser
Pro Gly Ile Cys
Pro Gly Leu Cys
Pro Gly Ser Glu
Pro Gly Thr Asp
Pro Ile Cys Gly
Pro Ile Gly Cys
Pro Leu Cys Gly
Pro Leu Gly Cys
Pro Met Ala Ala
Pro Ser Ala Asp
Pro Ser Asp Ala
Pro Ser Glu Gly
Pro Ser Gly Glu
Pro Thr Asp Gly
Pro Thr Gly Asp
Pro Val Ala Cys
Pro Val Cys Ala
Gln Ala Gly Asn
Gln Ala Asn Gly
Gln Gly Ala Asn
Gln Gly Gly Gln
Gln Gly Asn Ala
Gln Gly Gln Gly
Gln Asn Ala Gly
Gln Asn Gly Ala
Gln Gln Gly Gly
Ser Ala Asp Pro
Ser Ala Pro Asp
Ser Asp Ala Pro
Ser Asp Pro Ala
Ser Glu Gly Pro
Ser Glu Pro Gly
Ser Gly Glu Pro
Ser Gly Pro Glu
Ser Pro Ala Asp
Ser Pro Asp Ala
Ser Pro Glu Gly
Ser Pro Gly Glu
Thr Asp Gly Pro
Thr Asp Pro Gly
Thr Gly Asp Pro
Thr Gly Pro Asp
Thr Pro Asp Gly
Thr Pro Gly Asp
Val Ala Cys Pro
Val Ala Pro Cys
Val Cys Ala Pro
Val Cys Pro Ala
Val Pro Ala Cys
Val Pro Cys Ala
Bepotastine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Bepotastine is a selective and orally active second-generation histamine H1 receptor antagonist, can suppress the expression of nerve growth factor (NGF). Bepotastine has the potential for allergic rhinitis, allergic conjunctivitis and urticaria/pruritus research[1][2][3][4].
b-D-Glucopyranosyl-11-hydroxyjasmonic acid
7-Epi-12-hydroxyjasmonic acid glucoside
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside
Tuberonic acid glucoside
H-Ala-Ala-Pro-Val-chloromethylketone hydrochloride salt
2-(4-Boc-piperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-fluorophenyl)-N-(phenylmethyl)- (9CI)
RS 67333 hydrochloride
RS 67333 hydrochloride is a potent and selective 5-HT4 receptor (5-HT4R) partial agonist with a pKi of 8.7 in guinea-pig striatum. RS 67333 hydrochloride exhibits lower affinities at several other receptors including 5-HT1A, 5-HT1D, 5-HT2A, 5-HT2C, dopamine D1, D2 and muscarinic M1-M3 receptors. RS 67333 hydrochloride has neuroprotective effects, and can be used for Alzheimer's disease research[1].
Sodium 1,4-bis(1,3-dimethylbutyl) sulfonatosuccinate
SB269970 HCl
SB-269970 hydrochloride is a potent, selective and brain-penetrant 5-HT7 receptor antagonist with a pKi of 8.3. SB-269970 hydrochloride exhibits >50-fold selectivity against other 5-HT receptors[1][2].
2-(4-BOC-PIPERAZINYL)-2-(3-TRIFLUOROMETHYL-PHENYL)ACETIC ACID
2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinazolin-3-yl]acetic acid
METHANESULFONAMIDE,N-(1,4-DIHYDRO-2,4-DIOXO-2H-3,1-BENZOXAZIN-7-YL)-
CPI-613
C26170 - Protective Agent > C275 - Antioxidant Devimistat (CPI-613) is a mitochondrial metabolism inhibitor. Devimistat is a lipoic acid antagonist that abrogates mitochondrial energy metabolism to induce apoptosis in various cancer cells[1].
(E)-N-(6-amino-1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)acrylamide
4,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
4-(4-((4-Chlorophenyl)(pyridin-2-yl)methoxy)piperidin-1-yl)butanoic acid
6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Cyclopentaneacetic acid, 2-[(2Z)-5-(beta-D-glucopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2S)-
2-[3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
2-hydroxy-2-[2-[3-[hydroxy-[(E)-oct-2-enoyl]amino]propylamino]-2-oxoethyl]butanedioic acid
6-amino-N-(1-anilino-1-oxopropan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]hexanamide
N,4-Dimethyl-N-{2-Oxo-2-[4-(Pyridin-2-Yl)piperazin-1-Yl]ethyl}benzene-1-Sulfonamide
2-[(1R,2R)-3-oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
1,3-Diethyl-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
2-[[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenol
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
2,6-Dimethyl-4-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]morpholine
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-furancarboxamide
1-[2-[(4-Pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
3-(4-Chlorophenoxy)-4-[(3-methoxypropylamino)methyl]-1-(2-methylphenyl)-2-azetidinone
1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-piperidinecarboxamide
N-[4-[6-amino-5-cyano-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]phenyl]acetamide
1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)amino]-l-iditol
(2S,5R,6R)-6-({5-[(4-aminophenyl)imino]pentylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(1R,5S)-N-(4-fluorophenyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(1R,5S)-N-(2-fluorophenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-methylpropyl) ester
2-[3-Oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
6beta-({5-[(p-aminophenyl)imino]pentylidene}amino)penicillanic acid
Penicillanic acid carrying a (p-aminophenyl)imino]pentylidene}amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk.
EST73502 (monohydrochloride)
EST73502 monohydrochloride is a selective, orally active and blood-brain barrier (BBB) penetrant dual μ-opioid receptor (MOR) agonist and σ1 receptor (σ1R) antagonist, with Kis of 64 nM and 118 nM for MOR and σ1R, respectively. EST73502 monohydrochloride has antinociceptive activity[1].
PQCA
PQCA is a highly selective and potent muscarinic M1 receptor positive allosteric modulator. PQCA has an EC50 value of 49 nM and 135 nM on rhesus and human M1 receptor, respectively. PQCA is inactive for other muscarinic receptors. PQCA has potential to reduce the cognitive deficits associated with Alzheimer's disease[1][2].
13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-11,14-dione
6,6,10,10-tetramethyl-2-phenyl-2,3-dihydro-1,5,9-trioxatriphenylen-4-one
2-(1-hydroxycyclopropyl)-4-[(2e)-2-methyldec-2-enoyl]-5-oxooxolane-3-sulfonic acid
8,8-dimethyl-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}pyrano[2,3-h]chromen-4-one
(1r,2r)-5'-hydroxyjasmonicacid 5'-o-β-d-glu-copyranoside
{"Ingredient_id": "HBIN003056","Ingredient_name": "(1r,2r)-5'-hydroxyjasmonicacid 5'-o-\u03b2-d-glu-copyranoside","Alias": "NA","Ingredient_formula": "C18H28O9","Ingredient_Smile": "C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
