Exact Mass: 370.2112
Exact Mass Matches: 370.2112
Found 500 metabolites which its exact mass value is equals to given mass value 370.2112
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thromboxane B2
Thromboxanes. A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin). -- Pubchem. Thromboxanes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Thromboxanes
6-Keto-prostaglandin F1a
6-keto-Prostaglandin F1a is the physiologically active and stable metabolite of prostacyclin. (A prostaglandin found in nearly all mammalian tissue that is a powerful vasodilator and inhibits platelet aggregation; it is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue; the sodium salt has been also used to treat primary pulmonary hypertension (Hypertension, Pulmonary). A delayed and prolonged increase in 6-keto-PGF1 alpha is reported in animals with septic shock, i.e., those with fecal peritonitis or cecal ligation. 6-keto-Prostaglandin F1a plasma levels has been found increased in patients with epidemic hemorrhagic fever, in patients with acute obstructive suppurative cholangitis, in patients with gynecologic cancer and has significant correlation with the level of high density lipoprotein cholesterol in plasma. (PMID 1976492, 2298410, 2379443, 2111556)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 6-keto-Prostaglandin F1a is the physiologically active and stable metabolite of prostacyclin. (A prostaglandin found in nearly all mammalian tissue that is a powerful vasodilator and inhibits platelet aggregation; it is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue; the sodium salt has been also used to treat primary pulmonary hypertension (Hypertension, Pulmonary).
spiromesifen
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside is found in fruits. (3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside is a constituent of raspberry (Rubus idaeus) and leaves of sage (Salvia officinalis). Isolated from raspberry (Rubus idaeus) and the leaves of Dalmatian sage (Salvia officinalis). 3-Oxo-alpha-ionol 9-glucoside is found in herbs and spices, fruits, and red raspberry.
Octaethylene glycol
Octaethylene glycol, also known as 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol, is classified as a member of the polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). Octaethylene glycol is considered to be practically insoluble (in water) and relatively neutral. (ChemoSummarizer)
5-Megastigmen-7-yne-3,9-diol 9-glucoside
5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is a constituent of Riesling wine and Rose petals. Constituent of Riesling wine and Rose petals. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages.
20-Hydroxy-PGF2a
20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787, 3473507) [HMDB] 20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787, 3473507).
10,11-dihydro-20-dihydroxy-LTB4
10,11-dihydro-20-dihydroxy-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation.LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 10,11-Dihydro-20-dihydroxy-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation.LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737)
Prostaglandin G1
Prostaglandin G1 belongs to the family of Prostaglandins. Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Prostaglandin G1 belongs to the family of Prostaglandins
5-Megastigmen-7-yne-3,9-diol 3-glucoside
5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is a constituent of Riesling wine. Constituent of Riesling wine. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages.
19-hydroxyprostaglandin H1(1-)
19-hydroxyprostaglandin H1(1-) is considered to be practically insoluble (in water) and acidic
11-Hydroxyyohimbine
19-Hydroxyprostaglandin E1
19-Hydroxyprostaglandin F
Nomegestrol acetate
Ocfentanil
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
Samidorphan
Aspidocarpine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.694 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.691 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.688 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.689
[4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate
Humantenirine
14-(4-Hydroxy-3-methoxybenzoyloxy)dauc-4,8-diene
(6R,9S)-3-oxo-alpha-ionol-beta-D-glucopyranoside
(6R,9R)-3-Oxo-alpha-ionyl-9-O-beta-glucopyranoside
N(4)-Demethyl-12-methoxyalstogustine
A natural product found in Alstonia spatulata.
1-epi-2beta,3beta,5beta,6beta,10alpha,16alpha-hexahydroxygrayanane|craiobiotoxin VII
2-(4,8-dimethylnona-3,7-dienyl)-8-hydroxy-2-methyl-2H-chromene-6-carboxylic acid methyl ester|2-(4,8-Dimethylnona-3,7-dienyl)-8-hydroxy-2-methyl-2H-chromene-6-carboxylic methyl ester
3-hydroxy-16-hydroxymethyl-22-nor-vobasan-17-oic acid methyl ester|Voacarpin
(3beta,5beta,8beta,14beta)-8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide
(19R)-19,20-epoxy-11-methoxy-1-methyl-(2beta,20alphaH)-1,2,19,20-tetrahydro-akuammilan-17-oic acid|11-methoxy-quaternoxine|Caberin|caberine
1-(5-geranyloxy-7-hydroxy-2,2-dimethyl-2H-chromen-8-yl)ethanone
coronaridine hydroxyindolenine|heyneanine hydroxyindolenine
(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethyl-cyclohex-1-enyl]but-3-en-2-one|(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethylcyclohex-1-enyl]but-3-en-2-one|3-hydroxymegastigmasta-5,7-dien-9-one-3-O-beta-D-glucopyranoside|3beta-D-glucopyranosyloxy-beta-ionone
(9R)-4-oxo-beta-ionol beta-D-glucopyranoside|4-Oxo-beta-ionol beta-D-glucopyranoside
20-hydroxy-12-methoxy-ibogamine-18-carboxylic acid methyl ester|Voacristin
1-acetyl-17-methoxy-aspidospermidin-16-ol|Aspidocarpin|aspidocarpine
3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyrane-6-carboxylic acid|3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylic acid
lehualide F
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 3, a hydroxy group at position 4, a methyl group at position 5 and a (2E)-3-methyl-9-phenylnon-2-en-1-yl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.
(6Z)-[9-O-(beta-D-glucopyranosyl)] butylidene-1,5,5-trimethyl-4-cyclohexen-3-one
10-hydroxyisositsirikine|methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-9-hydroxyindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
1-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-2-(5-methoxy-9H-beta-carbolin-1-yl)cyclopentanol
2,6-dihydroxy-2-<3,7,11-trimethyl-2(E),6(E),10-dodecatrien-1-yl>-3(2H)-benzofuranone
1-(2,4-dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6(E),10-dodecadiene-1,9-dione
17-methoxy-corynox-16-ene-16-carboxylic acid methyl ester|Rynchophyllin
1-acetyl-19,21-epoxy-aspidospermidine-16,17-diol|Aspidofendlerin, N-Acetyl-16,17-dihydroxy-aspidoalbidin|Aspidofendlerine
1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium
18β-Hydroxy-3-epi-α-yohimbine
18-Beta-hydroxy-3-epi-alpha-yohimbine is a natural product found in Rauvolfia serpentina with data available.
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based: Match]
Octaethylene glycol
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 INTERNAL_ID 11; CONFIDENCE Reference Standard (Level 1)
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde_major
Ala Ala Ile Pro
Ala Ala Leu Pro
Ala Ala Pro Ile
Ala Ala Pro Leu
Ala Ile Ala Pro
Ala Ile Pro Ala
Ala Leu Ala Pro
Ala Leu Pro Ala
Ala Pro Ala Ile
Ala Pro Ala Leu
Ala Pro Ile Ala
Ala Pro Leu Ala
Gly Pro Val Val
Gly Val Pro Val
Gly Val Val Pro
Ile Ala Ala Pro
Ile Ala Pro Ala
Ile Pro Ala Ala
Leu Ala Ala Pro
Leu Ala Pro Ala
Leu Pro Ala Ala
Pro Ala Ala Ile
Pro Ala Ala Leu
Pro Ala Ile Ala
Pro Ala Leu Ala
Pro Gly Val Val
Pro Ile Ala Ala
Pro Leu Ala Ala
Pro Val Gly Val
Pro Val Val Gly
Val Gly Pro Val
Val Gly Val Pro
Val Pro Gly Val
Val Pro Val Gly
Val Val Gly Pro
Val Val Pro Gly
17-phenyl trinor-13,14-dihydro Prostaglandin A2
5-Megastigmen-7-yne-3,9-diol 9-glucoside
N-Lauryl-N-myristyl-beta-alanine
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
Aplidic acid A
Canangalia E
Canangalia F
(3-BOC-AMINO-PIPERIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID
1-Piperazinamine,4-(diphenylmethyl)-N-[(6-methyl-2-pyridinyl)methylene]-
Artilide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(3AR,4S,5R,6AS)-4-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-5-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
5-(t-Butyldimethylsiloxy)-2,3-difluorophenylboronic
4-[CARBOXY-(2-CHLORO-PHENYL)-METHYL]-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTERHYDROCHLORIDE
butane-1,4-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid
N,N-bis[(1R)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
butane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid
3,6-BIS[(1,1-DIMETHYLETHYL)-9H-FLUOREN-9-YL]CHLORODIMETHYL-SILANE
(S)-TERT-BUTYL 3-(4-AMINOPHENYL)-2-(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE
2-(4-boc-piperazinyl)-2-(2-naphthalenyl)acetic acid
Nomegestrol acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
tert-butyl 4-(2-oxospiro[cyclopentane-1,3-indole]-1-yl)piperidine-1-carboxylate
1,2-bis(ethenyl)benzene,1-ethenyl-4-ethylbenzene,4-methylphenol
ethyl 4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]benzoate
6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-cyclopentyl- (9CI)
TERT-BUTYL 4-(6-(2-ACETYL-1H-PYRROL-1-YL)PYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE
sn-Glycerol 3-phosphate biscyclohexylammonium salt
1,1,1,1-Tetramethyl-4,4-(methylene-di-p-phenylene)disemicarbazide
Samidorphan
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
5-(7-(5-Hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
1-(Phenylmethyl)-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine
Samidorphan
[3-Carboxy-2-(9-carboxy-3,4-dimethylidenenonanoyl)oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,10E)-11-carboxyundeca-2,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,9E)-11-carboxyundeca-7,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,9E)-11-carboxyundeca-5,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,10E)-11-carboxyundeca-3,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-11-carboxyundeca-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E)-11-carboxyundeca-6,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,10E)-11-carboxyundeca-7,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,10E)-11-carboxyundeca-5,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,9E)-11-carboxyundeca-4,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E)-11-carboxyundeca-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-11-carboxyundeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,8E)-11-carboxyundeca-4,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,10E)-11-carboxyundeca-4,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,9E)-11-carboxyundeca-3,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-11-carboxyundeca-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E)-11-carboxyundeca-8,10-dienoyl]oxypropyl]-trimethylazanium
(6aS)-1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
6-(9-Purine-6,8-diolyl)-2beta-suberosanone
A natural product found in Subergorgia suberosa.
Ala-Leu-Ala-Pro
A tetrapeptide composed of L-alanine, L-leucine, L-alanine, and L-proline joined in sequence by peptide linkages.
5-[1-[4-(Diethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
1,2-Dihydroacenaphthylen-5-yl-[1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl]methanone
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide
N-(2-ethoxyphenyl)-4-(4-morpholinyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
N-tert-butyl-2-[2-methoxy-4-[(2-phenylethylamino)methyl]phenoxy]acetamide
N-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
N-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
N-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
N-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside
2-[[(2R)-3-heptanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-heptanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Heptanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
5-[7-[4-(4-Ethyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole
8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetraenoic acid
8,12-dihydroxy-9-chloro-5Z,10Z,14Z,17Z-eicosatetraenoic acid
(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+)
A aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of (S)-glaucine.
BI-167107
BI-167107 is a high affinity, full agonist that binds to the β2 adrenergic receptor (β2AR) with a dissociation constant Kd of 84 pM[1].
(1'r,3s,4's,7'e,8's,9's)-7'-ethylidene-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
4-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)but-3-en-2-one
2-hydroxy-1-{14-hydroxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-11-yl}ethanone
methyl 2-hydroxy-1'-methyl-1',3',4',4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
(3e)-4-[(4r)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl]but-3-en-2-one
methyl (1s,15s,18r,19s,20r)-7,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
methyl 2-hydroxy-1'-methyl-1',3',4',4'a,5',6',8',9',10'a,10'b-decahydrospiro[indole-3,10'-pyrano[4,3-g]indolizine]-4'-carboxylate
methyl 17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
methyl 17,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
(1s,9s,12r,13s,14s)-3-hydroxy-5,9,13-trimethyl-13-(4-methylpent-3-en-1-yl)-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-triene-4-carboxylic acid
1-(5-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7-hydroxy-2,2-dimethylchromen-8-yl)ethanone
methyl (1s,9r,16s,17s,18r,21r)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
methyl 12-(1-hydroxyethyl)-6-methoxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
(6ar,8r,9ar)-3-[(5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8-methoxy-6a,8-dimethyl-9h,9ah-furo[2,3-h]isochromen-6-one
(15s,17s,19s)-15-ethyl-17-hydroxy-17-(methoxycarbonyl)-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-11-ium-11-olate
(3e)-4-[(1r,4r)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]but-3-en-2-one
methyl (1r,15s,17r,18r,19s,20r)-17,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
(1r,3r,8s,10s,11s)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.0³,¹¹.0⁶,¹⁰]tridecan-7-one
(2z)-2-[(3s,6'r,7's,8'as)-6'-ethyl-2-hydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoic acid
methyl (1s,15r,16r,19r,20s)-16-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
1-{12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-8-yl}ethanone
(1s,15r,18s,19r,20r)-18-hydroxy-19-(methoxycarbonyl)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraen-13-ium-13-olate
methyl (1r,2s,4ar,5s,6s,8as)-6-chloro-2-hydroxy-2,5,8a-trimethyl-5-(4-methylpent-3-en-1-yl)-hexahydro-1h-naphthalene-1-carboxylate
11-hydroxyhumantenine
{"Ingredient_id": "HBIN000446","Ingredient_name": "11-hydroxyhumantenine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CN(C2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC)C","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10167","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102004537","DrugBank_id": "NA"}
15-hydroxyhumamtenine
{"Ingredient_id": "HBIN001688","Ingredient_name": "15-hydroxyhumamtenine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CN(C2CC3(C4CC1(C2CO4)O)C5=CC=CC=C5N(C3=O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31201","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15-hydroxyhumantenine
{"Ingredient_id": "HBIN001689","Ingredient_name": "15-hydroxyhumantenine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CN(C2CC3(C4CC1(C2CO4)O)C5=CC=CC=C5N(C3=O)OC)C","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10168","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101606434","DrugBank_id": "NA"}
19-(r)-hydroxydihydrogelsevirine
{"Ingredient_id": "HBIN002215","Ingredient_name": "19-(r)-hydroxydihydrogelsevirine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC)C)O","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10000","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101601180","DrugBank_id": "NA"}
19-(s)-hydroxydihydrogelsevirine
{"Ingredient_id": "HBIN002221","Ingredient_name": "19-(s)-hydroxydihydrogelsevirine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(4',8'-dimethylnona-3',7'-dienyl)-8-hydroxy-2-methyl-2h-chromene-6-carboxylicmethylester
{"Ingredient_id": "HBIN004271","Ingredient_name": "2-(4',8'-dimethylnona-3',7'-dienyl)-8-hydroxy-2-methyl-2h-chromene-6-carboxylicmethylester","Alias": "NA","Ingredient_formula": "C23H30O4","Ingredient_Smile": "CC(=CCCC(=CCCC1(C=CC2=CC(=CC(=C2O1)O)C(=O)OC)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6378","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6s,9r)-deoxyroseoside
{"Ingredient_id": "HBIN012811","Ingredient_name": "(6s,9r)-deoxyroseoside","Alias": "NA","Ingredient_formula": "C19H30O7","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5209","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amsosinine
{"Ingredient_id": "HBIN015914","Ingredient_name": "amsosinine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC1(C2CN3CCC4=C(C3CC2C(CO1)C(=O)OC)NC5=CC=CC=C45)O","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1089","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318152","DrugBank_id": "NA"}
aspidodasycarpine
{"Ingredient_id": "HBIN017152","Ingredient_name": "aspidodasycarpine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CNC2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1901","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "118701741","DrugBank_id": "NA"}