Exact Mass: 382.1812
Exact Mass Matches: 382.1812
Found 500 metabolites which its exact mass value is equals to given mass value 382.1812
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinncassiol C3
Cinncassiol C3 is found in herbs and spices. Cinncassiol C3 is a constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C3 is found in herbs and spices.
Hydroxysenkirkine
(3R)-3-hydroxy-16-methoxy-1,2-didehydro-2,3-dihydrotabersonine
Tofisopam
Tofisopam (marketed under brand names Emandaxin and Grandaxin) is a 2,3-benzodiazepine drug which is a benzodiazepine derivative. In contrast to classical 1,4-benzodiazepines, the compound does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor and its psychopharmacological profile differs from such compounds. Although Tofisopam is not approved for sale in North America, it is approved for use in various countries worldwide, including parts of Europe. The D-enantiomer (dextofisopam) is currently in phase II trials in the U.S. for the treatment of irritable bowel syndrome. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
T2 Triol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins T2 Triol is a mycotoxin from Fusarium sporotrichiell Mycotoxin from Fusarium sporotrichiella
Cinncassiol A
Cinncassiol A is found in herbs and spices. Cinncassiol A is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol A is found in herbs and spices.
12-Oxo-20-trihydroxy-leukotriene B4
12-Oxo-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human 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 omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). 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. 12-Oxo-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human 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: 7649996, 17623009, 2853166, 6088485)
Eletriptan
Eletriptan is only found in individuals that have used or taken this drug. It is a second generation triptan drug developed by Pfizer Inc for the treatment of migraine headaches. [Wikipedia]Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors, and little or no affinity for 5-HT2A, 5-HT2C, 5-HT3, 5-HT4, 5-HT5A and 5-HT6 receptors. Eletriptan has no significant affinity or pharmacological activity at adrenergic alpha1, alpha2, or beta; dopaminergic D1 or D2; muscarinic; or opioid receptors. Two theories have been proposed to explain the efficacy of 5-HT receptor agonists in migraine. One theory suggests that activation of 5-HT1 receptors located on intracranial blood vessels, including those on the arteriovenous anastomoses, leads to vasoconstriction, which is correlated with the relief of migraine headache. The other hypothesis suggests that activation of 5-HT1 receptors on sensory nerve endings in the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside is found in herbs and spices. 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). trans-1,2,10-Trihydroxydihydrolinalyl oxide 7-glucoside is found in herbs and spices.
1,4-Bis((o-tolyloxy)acetyl)piperazine
(E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid
6-Deoxy-4-O-(3,6-di-O-methyl-beta-D-glucopyranosyl)-2,3-di-O-methyl-alpha-L-mannopyranose
1-(2,3-Bis((4-methoxyphenyl)methoxy)propyl)-1H-imidazole
Corynoxeine
2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
3-Hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
Sumarotene
Tetramethylchromanol glucoside
1ST159055
Isocorynoxeine is a natural product found in Uncaria tomentosa, Mitragyna parvifolia, and other organisms with data available. See also: Cats Claw (part of). Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM. Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM. Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM.
27KIC0Q2VA
Corynoxeine is a natural product found in Uncaria tomentosa, Mitragyna inermis, and other organisms with data available. See also: Cats Claw (part of). Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation. Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation. Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation.
Viguilenin
An organic heterocricyclic compound and germacranolide with formula C20H30O7 isolated from Viguiera linearis.
Gelsempervine A
1alphaH,7alphaH,8alphaH,10betaH-2alpha-Tigloyloxy-4beta,11alpha,13-trihydroxy-pseudoguaian-8,12-olide
Tirotundifolin E
ADB-FUBINACA
(6aR,9R,9aR)-9-Acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6a-methyl-9,9a-dihydro-6H-furo[2,3-H]isochromene-6,8(6aH)-dione
1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.921 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.919 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.915 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.913
methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
4-(3,4,8,9-Tetrahydro-8-isopropenyl-5-methoxy-6-methyl-2H-furo[2,3-h]-1-benzopyran-3-yl)-3-methoxyphenol
2,6-Dihydroxy-4-[(E)-5-hydroxy-3,7-dimethylocta-2,7-dienyloxy] benzophenone|2,6-dihydroxy-4-[(E)-5-hydroxy-3,7-dimethylocta-2,7-dienyloxy]benzophenone
5-methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-propyl-2H,8H-benzo[1,2-b,3,4-b]dipyran-8-one|5-Methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-propyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-8-one|5-Methoxy-2,2-dimethyl-6-<(E)-2-methylbut-2-enoyl>-10-propyl-2H,8H-benzo<1,2-b:3,4-b>dipyran-8-one|GUT-70
3beta-(2-methylbutyryloxy)-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide
6beta,9beta-dihydroxypulchellin-2-O-<2-methylbutyrate>|Pulchelloid B
5-O-(3-carboxypropionyl)-4-oxo-4,6,7,8,9,10,11,12,13,14,16-undecadeoxy-D-glycero-D-glycero-(E)-2-hexadecenono-1,15-lactone|Antibiotic A26771B
(16S,19E)-2,17-epoxy-9,10,12-trimethoxy-(7betaC2)-5beta,16-cyclo-corynoxa-1,19-diene|(19E)-18-demethoxy-gardneramine|18-Desmethoxy-gardneramin|19(E)-18-demethoxygardneramine
kopsifoline A|methyl (1R,4R,5R,13R,20S)-5-hydroxy-8-methoxy-6,16-diazahexacyclo[11.6.1.11.4.05.13.07.12.016.20]henicosa-7(12),8,10,18-tetraene-4-carboxylate
4alpha-hydroxy-3alpha-(2-methyl-2,3-epoxybutyryloxy)-11-hydroperoxy-eudesm-6-en-8-one
N(1)-Methoxy-19,20-dehydroervatamine|N1-Methoxy-19,20-dehydroervatamine
cleroda-1-one-2-en-11beta,15,16,18-tetraol-12, 19-olide|tinosporaclerodanoid
6-acetyl-3-(3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one|rotiorinol A
(1S,4S,5S,6R,7S,10S,11R)-1,4-dihydroxy-2-oxo-5-angeloxyxanthan-6,12-olide
6alpha-phenylacetoxy-4beta,5alpha-epoxygermacra-1(10)E,11-dien-8alpha,12-olide
(21E?)-11xi-Hydroxy-19-methyl-11,24-cyclo-11,12;16,19;23,24-triseco-strychnidin-10,16-dion|(21E?)-11xi-hydroxy-19-methyl-11,24-cyclo-11,12;16,19;23,24-triseco-strychnidine-10,16-dione|Holstiine
2alpha-(2-methylbutyryloxy)-dugaldiolide|2alpha-<2-methylbutyryloxy>-dugaldiolide
3-(2-Hydroxy-7-methyl-3-methylene-6-octenyl)-2,4,6-trihydroxybenzophenone
brasiliamide E|cis-1-acetyl-2-benzyl-5-(3-methoxy-4,5-methylenedioxybenzyl)piperazine
(S)-2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|mepuberin
19(E)-11-methoxy-9,18-didemethoxygardneramine
A natural product found in Gardneria ovata.
hyperinakin|phenyl(2,4,6-trihydroxy-3-((3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl)methyl)phenyl)methanone
(3S,16R)-17,21-epoxy-3,17-dihydroxy-1,4-dimethyl-1H-2alpha,4-cyclo-3,4;4,21-diseco-akuammilane-16-carboxylic acid 3-lactone|(6S)-4-(E)-ethylidene-1c-hydroxy-7,16-dimethyl-(4at)-4,4a,5,6-tetrahydro-2H,7H-6ac,11bc-[1]azapropano-6r,11cc-oxaethano-pyrano[4,3-c]carbazol-12-one|Isocorymin|isocorymine
17-methoxy-2-oxo-corynoxa-16,20-diene-16-carboxylic acid methyl ester|Isorhynchophyllin
6beta,11alpha,15alpha,16beta-tetrahydroxy-6alpha,20-epoxy-6,7-seco-entkaur-1alpha,7-olide|sculponin Q
amyl-1-O-beta-D-apiofuranosyl-1,6-O-beta-D-glucopyranoside
1,2-butanediol 1-O-beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?ethyl-2?,3?-dihydroxybutyrate|microtropin F
(E)-3-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-2,4,6-trihydroxybenzophenone
10-Hydroxy-11-methoxytabersonine|15-hydroxy-16-methoxy-2,3,6,7-tetradehydro-aspidospermidine-3-carboxylic acid methyl ester|Hydroxy-methoxy-tabersonin|jerantinine A
12-Methoxy-20-oxo-ibogamin-18-carbonsaeure-methylester|12-methoxy-20-oxo-ibogamine-18-carboxylic acid methyl ester
(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-2-[(2S)-1-hydroxypropan-2-yl]-3,5,8-trimethyl-4,8-(epoxyethano)cyclopenta[a]inden-10-one|cinnacasol
methyl 12-methoxy-N-decarbomethoxychanofruticosinate|methyl 12-methoxy-N1-decarbomethoxychanofruticosinate
(9aR)-9a-Methyl-3-octanoyl-6-trans-propenyl-9aH-furo[3,2-g]isochromen-2,9-dion|(9aR)-9a-methyl-3-octanoyl-6-trans-propenyl-9aH-furo[3,2-g]isochromene-2,9-dione|(R-(E))-9a-methyl-3-(1-oxooctyl)-6-(1-propenyl)-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione|Monascorubrin
3beta,4beta,5-trimethoxy-6,6-dimethyl-2H-pyrano-(2,3:7,6)-flavan|3beta-methoxyxuulanin|3??-Methoxyxuulanin
reserpiline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.759 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.758 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.762
MLS000876965-01!(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
C22H26N2O4_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-9-methoxy-, methyl ester, (2S,3E,7aS)
C23H26O5_6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9,9a-dihydro-6a-methyl-, (6aR,9R,9aR)
tofisopam
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Reserpinine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Yohimbinoid alkaloids, Indole alkaloids
Ala Gly His Val
Ala Gly Val His
Ala His Gly Val
Ala His Val Gly
Ala Val Gly His
Ala Val His Gly
Gly Ala His Val
Gly Ala Val His
Gly Gly His Ile
Gly Gly His Leu
Gly Gly Ile His
Gly Gly Leu His
Gly His Ala Val
Gly His Gly Ile
Gly His Gly Leu
Gly His Ile Gly
Gly His Leu Gly
Gly His Val Ala
Gly Ile Gly His
Gly Ile His Gly
Gly Leu Gly His
Gly Leu His Gly
Gly Val Ala His
Gly Val His Ala
His Ala Gly Val
His Ala Val Gly
His Gly Ala Val
His Gly Gly Ile
His Gly Gly Leu
His Gly Ile Gly
His Gly Leu Gly
His Gly Val Ala
His Ile Gly Gly
His Leu Gly Gly
His Val Ala Gly
His Val Gly Ala
Ile Gly Gly His
Ile Gly His Gly
Ile His Gly Gly
Leu Gly Gly His
Leu Gly His Gly
Leu His Gly Gly
Val Ala Gly His
Val Ala His Gly
Val Gly Ala His
Val Gly His Ala
Val His Ala Gly
Val His Gly Ala
Eletriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-b-D-glucopyranoside
methyl (19alpha)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate
[4-[4-(2,2-dimethylpropanoyloxy)benzoyl]phenyl] 2,2-dimethylpropanoate
Calpain Inhibitor III
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors
Talnetant
Talnetant (SB 223412) is a selective, competitive, brain-permeable NK3 receptor antagonist with a Ki of 1.4 nM in hNK-3-CHO cells. Talnetant is 100-fold more selective for hNK-3 relative to the hNK-2 receptor and has no affinity for hNK-1. Talnetant can be used in schizophrenia-related studies[1][2][3].
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]- (9CI)
1-decyl-2,3-dimethylimidazolium hexafluorophosphate
Gdc-0084
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
Dextofisopam
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
N-Ethyl-4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methylpyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
Levotofisopam
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid
Jerantinine A
An indole alkaloid that is tabersonine substituted by hydroxy group at position 10 and a methoxy group at position 11. Isolated from Tabernaemontana corymbosa and Hazunta modesta, it exhibits cytotoxicity against human KB cells.
Rotiorinol A
An azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity.
2-[1-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)propan-2-yl]-1H-benzimidazole
Ethyl 5-cyano-6-[4-(4-methoxyphenyl)piperazino]-2-oxo-1,2-dihydro-3-pyridinecarboxylate
4-[4-(4-methylbenzoyl)piperazino]-3-nitrobenzenecarbaldehyde O-methyloxime
2-{5-[Amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-YL}-6-[(2-methylcyclohexyl)oxy]benzenolate
2,5-Bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol
2-O-(3-Amidinophenyl)-5-O-(4-amidinophenyl}-1,4:3,6-dianhydro-D-sorbitol
6-Carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-YL]-hexanoic acid
2,5-O,O-Bis-{4,4-amidinophenyl}-1,4:3,6-dianhydro-D-sorbitol
2-O-(4-Amidinophenyl)-5-O-(3-amidinophenyl)-1,4:3,6-dianhydro-D-sorbitol
4-[(2-{4-[(Cyclopropylcarbamoyl)amino]-1H-pyrazol-3-YL}-1H-benzimidazol-6-YL)methyl]morpholin-4-ium
Methyl 11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate
(2S,5S)-6-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2,5-bis(azaniumyl)hexanoate
methyl (1R,13R,20S)-13-ethyl-5-methoxy-10-oxa-8,17-diazahexacyclo[11.6.1.01,9.02,7.09,11.017,20]icosa-2(7),3,5,14-tetraene-11-carboxylate
methyl (Z)-2-(6-ethenyl-2-oxospiro[1H-indole-3,1-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7-yl)-3-methoxyprop-2-enoate
1,1,4,4-tetramethyl-6-[(Z)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
6-Deoxy-4-O-(3,6-di-O-methyl-beta-D-glucopyranosyl)-2,3-di-O-methyl-alpha-L-mannopyranose
N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
Leu-Asn-His
A tripeptide composed of L-leucine, L-asparagine and L-histidine joined in sequence by peptide linkages.
N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
2-[3-[(4-methylphenyl)methyl]-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide
1-[5-[[Anilino(oxo)methyl]amino]-1,3-dimethyl-2-oxo-4-imidazolidinyl]-3-phenylurea
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione
19(E)-18-demethoxygardneramine
A natural product found in Gardneria ovata.
(2R)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
[(1R,5S)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyrazin-2-ylmethanone
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) octanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) heptanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) nonanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) decanoate
2,5,7,8-Tetramethyl-2-[2-[(1H-benzimidazol-2-yl)thio]ethyl]chroman-6-ol
(1R,4Z,6R,7S,17S)-4-ethylidene-7,17-dihydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
(3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
A monoterpenoid indole alkaloid that is a reactive intermediate in the biosynthesis of vindoline by Catharanthus roseus.
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
beta-D-Glup3,6Me2-(1->4)-alpha-L-Rhap2,3-Me2
A disaccharide derivative consisting of 2,3-di-O-methyl-alpha-L-rhamnose having a 3,6-dimethyl-alpha-D-arabino-hexosyl residue attached at the 4-position.
Roxindole (hydrochloride)
Roxindole hydrochloride (EMD 38362), an indot-alkyl-pipenidine, is a potent agonist at dopamine autoreceptors, with an affinity for the D2-like subtype in the low nanomolar range. Roxindole can be used for the research of positive and negative schizophrenic symptoms. Roxindole is a 5-HT1A agonist and 5-HT uptake inhibitor with high affinity for 5-HT1A (IC50=0.9 nM). Antipsychotic and antidepressant activities[1][2][3].
9a-methyl-3-octanoyl-6-(prop-1-en-1-yl)furo[3,2-g]isochromene-2,9-dione
(6ar)-9-acetyl-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-9h,9ah-furo[2,3-h]isochromene-6,8-dione
methyl (1s,15r,16s,20s)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
5-methoxy-2,2-dimethyl-6-(2-methylbut-2-enoyl)-10-propylpyrano[2,3-h]chromen-8-one
methyl (9s,10r,12s,13s,14s,15s)-9-hydroxy-15-methyl-16-oxa-8,18-diazahexacyclo[10.8.1.1¹⁰,¹⁴.0²,⁷.0⁸,²¹.0¹³,¹⁸]docosa-1(21),2,4,6-tetraene-12-carboxylate
methyl 7-methoxy-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10-triene-4-carboxylate
methyl 2-{3-ethenyl-8-hydroxy-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl}-3-methoxyprop-2-enoate
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
methyl 20-hydroxy-11,18-dimethyl-17-oxa-1,11-diazapentacyclo[10.8.1.0²,⁷.0⁸,²¹.0¹⁴,¹⁹]henicosa-2,4,6,8(21),15-pentaene-15-carboxylate
methyl (1s,15r,17s,18s)-17-ethyl-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
(2r,3r,4s,5s,6r)-2-[(2r)-pentan-2-yloxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
methyl 2-{6'-ethenyl-2-hydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl}-3-methoxyprop-2-enoate
methyl (1r,9s,11s,14e,15s,17s,19r)-14-ethylidene-19-(hydroxymethyl)-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
(1r,10s,12r,13r,14r,16s,17s,18r)-14-hydroxy-13-[(1r)-1-methoxyethyl]-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6,8-tetraen-18-yl acetate
methyl (1r,2s,10s,15e,16s,17r,18s)-15-ethylidene-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.0²,¹⁰.0²,¹³.0⁴,⁹.0¹⁰,¹⁷]icosa-4,6,8-triene-17-carboxylate
methyl 5-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.0¹,⁹.0²,⁷.0¹²,¹⁶.0¹⁹,²²]docosa-2,4,6,9-tetraene-10-carboxylate
methyl 15-ethylidene-18-(hydroxymethyl)-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraene-18-carboxylate
methyl 17-ethyl-6-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1s,15r,17s,18s)-17-ethyl-6-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1r,10s,12r,14s,15s)-14-ethyl-4-methoxy-19-oxa-8,16-diazahexacyclo[10.6.2.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²⁰]icosa-2,4,6,8-tetraene-10-carboxylate
methyl (2e)-2-[(6'r,7's)-6'-ethenyl-2-hydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
2-[3-hydroxy-2-(3-methylbut-2-en-1-yl)benzoyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol
methyl (1s,9s,14e,15s,16r,19s)-14-ethylidene-6-hydroxy-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.0¹,⁹.0³,⁸.0⁹,¹⁶.0¹²,¹⁹]icosa-3,5,7-triene-16-carboxylate
7-benzoyl-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-4,6-diol
methyl 8-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
14-β-hydroxy-3-isorauniticine
{"Ingredient_id": "HBIN001384","Ingredient_name": "14-\u03b2-hydroxy-3-isorauniticine","Alias": "NA","Ingredient_formula": "C22H26N2O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10263","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6-dihydroxy-4-[(e)-5-hydroxy-3,7-dimethyl-octa-2,7-dienyloxy] benzophenone
{"Ingredient_id": "HBIN004880","Ingredient_name": "2,6-dihydroxy-4-[(e)-5-hydroxy-3,7-dimethyl-octa-2,7-dienyloxy] benzophenone","Alias": "NA","Ingredient_formula": "C23H26O5","Ingredient_Smile": "CC(=C)CC(CC(=CCOC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O)C)O","Ingredient_weight": "382.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5907","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11338042","DrugBank_id": "NA"}
anonocine
{"Ingredient_id": "HBIN016259","Ingredient_name": "anonocine","Alias": "NA","Ingredient_formula": "C19H28NO7+","Ingredient_Smile": "CC1CC(=CCO)C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36195","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}