Exact Mass: 337.1559002
Exact Mass Matches: 337.1559002
Found 500 metabolites which its exact mass value is equals to given mass value 337.1559002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linezolid
C16H20FN3O4 (337.14377720000005)
Linezolid is only found in individuals that have used or taken this drug. It is a synthetic antibiotic, the first of the oxazolidinone class, used for the treatment of infections caused by multi-resistant bacteria including streptococcus and methicillin-resistant Staphylococcus aureus (MRSA). Linezolid is a synthetic antibacterial agent of the oxazolidinone class of antibiotics. It has in vitro activity against aerobic Gram positive bacteria, certain Gram negative bacteria and anaerobic microorganisms. It selectively inhibits bacterial protein synthesis through binding to sites on the bacterial ribosome and prevents the formation of a functional 70S-initiation complex. Specifically, linezolid binds to a site on the bacterial 23S ribosomal RNA of the 50S subunit and prevents the formation of a functional 70S initiation complex, which is an essential component of the bacterial translation process. The results of time-kill studies have shown linezolid to be bacteriostatic against enterococci and staphylococci. For streptococci, linezolid was found to be bactericidal for the majority of strains. Linezolid is also a reversible, nonselective inhibitor of monoamine oxidase. Therefore, linezolid has the potential for interaction with adrenergic and serotonergic agents. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic
Olopatadine
C21H23NO3 (337.16778480000005)
Used to treat allergic conjunctivitis (itching eyes), olopatadine inhibits the release of histamine from mast cells. It is a relatively selective histamine H1 antagonist that inhibits the in vivo and in vitro type 1 immediate hypersensitivity reaction including inhibition of histamine induced effects on human conjunctival epithelial cells. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents
Bitertanol
D016573 - Agrochemicals D010575 - Pesticides
Kyotorphin
C15H23N5O4 (337.17499580000003)
Kyotorphin (L-tyrosyl-L-arginine) is a neuroactive dipeptide which plays a role in pain regulation in the brain. It was first isolated from bovine brain by Japanese scientists in 1979. Kyotorphin was named for the site of its discovery, Kyoto, Japan and because of its morphine- (or endorphin-) like analgesic activity. Kyotorphin has an analgesic effect, but it does not interact with the opioid receptors. Instead, it acts by releasing an Met-enkephalin and stabilizing it from degradation. It may also possess properties of neuromediator/neuromodulator. It has been shown that kyotorphin is present in the human cerebrospinal fluid and that it is lower in patients with persistent pain. [HMDB] Kyotorphin (L-tyrosyl-L-arginine) is a neuroactive dipeptide which plays a role in pain regulation in the brain. It was first isolated from bovine brain by Japanese scientists in 1979. Kyotorphin was named for the site of its discovery, Kyoto, Japan and because of its morphine- (or endorphin-) like analgesic activity. Kyotorphin has an analgesic effect, but it does not interact with the opioid receptors. Instead, it acts by releasing an Met-enkephalin and stabilizing it from degradation. It may also possess properties of neuromediator/neuromodulator. It has been shown that kyotorphin is present in the human cerebrospinal fluid and that it is lower in patients with persistent pain. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004723 - Endorphins Kyotorphin is an endogenou neuroactive dipeptide with analgesic properties. Kyotorphin possesses anti-inflammatory and antimicrobial activity. Kyotorphin levels in cerebro-spinal fluid correlate negatively with the progression of neurodegeneration in Alzheimer's Disease patients[1].
Indole-3-acetyl-myo-inositol
1H-Indol-3-ylacetyl-myo-inositol is found in cereals and cereal products. 1H-Indol-3-ylacetyl-myo-inositol is present in Oryza sativa (rice) and Zea mays (corn Present in Oryza sativa (rice) and Zea mays (corn). 1H-Indol-3-ylacetyl-myo-inositol is found in cereals and cereal products, rice, and corn.
4-O-(Indole-3-acetyl)-D-glucopyranose
4-o-(indole-3-acetyl)-d-glucopyranose, also known as indole-3-acetyl-beta-1-D-glucose or B-D-glucopyranose, 1-(1h-indole-3-acetic acid), belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. 4-o-(indole-3-acetyl)-d-glucopyranose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-o-(indole-3-acetyl)-d-glucopyranose can be found in corn, which makes 4-o-(indole-3-acetyl)-d-glucopyranose a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Streptobiosamine
An amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3.
Nemorensine
Talampanel
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Same as: D02696 Talampanel (LY300164) is an orally and selective α-amino-3-hydroxy-5-methyl-4-isoxazolepropionate (AMPA) receptor antagonis with anti-seizure activity[1]. Talampanel (IVAX) has neuroprotective effects in rodent stroke models[2]. Talampanel attenuates caspase-3 dependent apoptosis in mouse brain[2].
fuchsin basic
C20H20ClN3 (337.13456700000006)
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
Lambertine
Lambertine is an alkaloid. Dihydroberberine is a natural product found in Thalictrum foliolosum, Berberis vulgaris, and other organisms with data available. Lambertine is found in fruits. Lambertine is an alkaloid from Berberis vulgaris (barberry). Alkaloid from Berberis vulgaris (barberry). Lambertine is found in tea and fruits.
Junosidine
Junosidine is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Junosidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Junosidine is an alkaloid that has been found in the root bark of Citrus junos (yuzu).
5-Methoxynoracronycine
5-Methoxynoracronycine is found in citrus. 5-Methoxynoracronycine is an alkaloid from the bark of Citrus junos (yuzu
3,6-Ditigloyloxytropan-7-ol
3,6-Ditigloyloxytropan-7-ol is found in fruits. 3,6-Ditigloyloxytropan-7-ol is an alkaloid present in Cyphomandra betacea (tree tomato
Arginyltyrosine
C15H23N5O4 (337.17499580000003)
Arginyltyrosine is a dipeptide composed of arginine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tyrosyl-Arginine
C15H23N5O4 (337.17499580000003)
Tyrosyl-Arginine is a dipeptide composed of tyrosine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
4-O-alpha-D-Galactopyranosylcalystegine B2
4-O-alpha-D-Galactopyranosylcalystegine B2 is found in fruits. 4-O-alpha-D-Galactopyranosylcalystegine B2 is an alkaloid from the fruit of Morus alba (white mulberry). Alkaloid from the fruit of Morus alba (white mulberry). 4-O-alpha-D-Galactopyranosylcalystegine B2 is found in fruits.
6-oxo-famciclovir
6-oxo-famciclovir is a metabolite of famciclovir. Famciclovir is a guanine analogue antiviral drug used for the treatment of various herpesvirus infections, most commonly for herpes zoster (shingles). It is a prodrug form of penciclovir with improved oral bioavailability. Famciclovir is marketed under the trade name Famvir. On August 24, 2007, the United States Food and Drug Administration approved the first generic version of famciclovir. (Wikipedia)
Posiphen
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
4-(2-((7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino)ethyl)phenol
ZM241385 is a potent, high affinity and selective adenosine A2a receptor (A2AR) antagonist with a Ki value of 1.4 nM[1][2][3].
3-Quinuclidinyl benzilate
C21H23NO3 (337.16778480000005)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Furylacryloylalanyllysine
C16H23N3O5 (337.16376280000003)
3-(4-t-Butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide
C21H23NO3 (337.16778480000005)
2-[11-[3-(Dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
C21H23NO3 (337.16778480000005)
1-(4-Aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine
H-D-Tyr-val-gly-OH
C16H23N3O5 (337.16376280000003)
N-(p-Amylcinnamoyl)anthranilic acid
C21H23NO3 (337.16778480000005)
N(6)-Monobutyryladenosine
Oclacitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor
Pargeverine
C21H23NO3 (337.16778480000005)
Propanidid
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
1-Azabicyclo[2.2.2]octan-2-yl 2-hydroxy-2,2-diphenylacetate
C21H23NO3 (337.16778480000005)
Ractopamine hydrochloride
C18H24ClNO3 (337.14446240000007)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Leanness enhancer for pigs. Approved for use in the USA
indole-3-acetyl-tyrosine
C19H17N2O4- (337.11882620000006)
Indole-3-acetyl-tyrosine is also known as iaa-tyr. Indole-3-acetyl-tyrosine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-tyrosine can be found in a number of food items such as lupine, other cereal product, poppy, and burbot, which makes indole-3-acetyl-tyrosine a potential biomarker for the consumption of these food products.
indole-3-acetyl-beta-4-D-glucose
Indole-3-acetyl-beta-4-d-glucose belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetyl-beta-4-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-acetyl-beta-4-d-glucose can be found in a number of food items such as tamarind, black-eyed pea, sweet potato, and sourdough, which makes indole-3-acetyl-beta-4-d-glucose a potential biomarker for the consumption of these food products.
indole-3-acetyl-beta-6-D-glucose
Indole-3-acetyl-beta-6-d-glucose belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetyl-beta-6-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-acetyl-beta-6-d-glucose can be found in a number of food items such as apple, coconut, black mulberry, and american butterfish, which makes indole-3-acetyl-beta-6-d-glucose a potential biomarker for the consumption of these food products.
Dehydrodicentrine
3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropan-6beta-ol
Sinomendine
An aporphine alkaloid that is 7-methyldibenzo[de,g]quinolin-7-ol carrying three additional methoxy substituents at positions 2, 8 and 9.
3,9,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2-olate
3alpha-(E)-4-hydroxysenecioyloxy-6beta-senecioyloxytropane
2-O-Methyl-b-D-N-acetylneuraminic acid methyl ester
(Xi)-beta-D-Glucopyranosyloxy-(4-isopropyl-phenyl)-acetonitril|(Xi)-beta-D-glucopyranosyloxy-(4-isopropyl-phenyl)-acetonitrile
(-)-N-Acetylnorstephalagine|N-Acetylnorstephalagin|N-acetylnorstephalagine
1-O-beta-D-glucopyranosyl-5-deoxyadenophorine|1-O-beta-D-glucopyranosyladenophorine
4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
(2R)-beta-D-(6-O-acetyl)-glucosyl-2-phenylacetonitrile|peregrinumcin A
6-Acetyl-7-methoxy-1,2-(methylenedioxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid
(6,7-dimethoxy-4-methylisoquinolinyl)-(4-methoxyphenyl)-methanone
(-)-N-acetylxylopine|6-Acetyl-9-methoxy-1,2-methylendioxy-6abeta-aporphan|6-acetyl-9-methoxy-1,2-methylenedioxy-6abeta-aporphane|N-acetylxylopine
5-hydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione
3alpha-(E)-4-hydroxysenecioyloxy-6beta-angeloyloxytropane
RCS-4 N-(4-hydroxypentyl) metabolite
C21H23NO3 (337.16778480000005)
RCS-4 N-(5-hydroxypentyl) metabolite
C21H23NO3 (337.16778480000005)
Olopatadine
C21H23NO3 (337.16778480000005)
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents CONFIDENCE standard compound; INTERNAL_ID 2210 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3323
Linezolid
C16H20FN3O4 (337.14377720000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3291
N2-Isobutyryl-2-deoxyguanosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.589 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.591 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.583 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.587
9-(4-aminophenyl)-3,7-dihydroxy-2,4,6-trimethyl-9-oxo-nonoic acid (candicidin related)
Arg-Tyr
C15H23N5O4 (337.17499580000003)
A dipeptide formed from L-arginine and L-tyrosine residues.
3,6-Ditigloyloxytropan-7-ol
5-Methoxynoracronycine
1H-Indol-3-ylacetyl-myo-inositol
Lambertine
4-O-a-D-Galactopyranosylcalystegine b2
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-FLUOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
(5-amino-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
N-ethyl-N-(6-methoxyquinolin-8-yl)-N-propan-2-yl-propane-1,3-diamine
C18H28ClN3O (337.19207880000005)
Satigrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
4-[3-(4-chloro-6-methoxyquinazolin-7-yl)oxypropyl]morpholine
C16H20ClN3O3 (337.11931200000004)
tert-butyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-ioxaborolan-2-yl)phenylcarbamate
C17H25BFNO4 (337.18605720000005)
Ufenamate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenylpyrrolidin-1-yl)propan-1-one
C21H23NO3 (337.16778480000005)
1-[CARBOXY-(4-METHYLSULFANYL-PHENYL)-METHYL]-PIPERIDINE-3-CARBOXYLICACIDETHYLESTER
Urea, N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-N-(4-nitrophenyl)- (9CI)
(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
C21H23NO3 (337.16778480000005)
4-[(4-METHOXYBENZYLIDENE)AMINO]CINNAMIC ACID N-BUTYL ESTER
C21H23NO3 (337.16778480000005)
tert-butyl 4-(3-methoxy-4-nitrophenyl)piperazine-1-carboxylate
C16H23N3O5 (337.16376280000003)
AT7867
C20H20ClN3 (337.13456700000006)
AT7867 is a potent ATP-competitive inhibitor of Akt1/Akt2/Akt3 and p70S6K/PKA with IC50s of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively.
2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-2-phenyl-3H-pyrazol-3-one
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)prop-2-enamide
N-(4-methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
H-D-Tyr-Val-Gly-OH
C16H23N3O5 (337.16376280000003)
(4-METHOXY-BENZYLIDENE)-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-AMINE
N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Pargeverine
C21H23NO3 (337.16778480000005)
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
1-((4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)SULFONYL)PYRROLIDINE
C16H24BNO4S (337.15190140000004)
2-Naphthalenol,1-[phenyl[(phenylmethylene)amino]methyl]-
Benzyl 1-oxo-3-phenyl-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
1-O-tert-butyl 4-O-methyl 2-(phenylmethoxycarbonylamino)butanedioate
Dobutamine hydrochloride
C18H24ClNO3 (337.14446240000007)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Dobutamine hydrochloride is a synthetic catecholamine that acts on α1-AR, β1-AR, β2-AR (α-1, β-1 andβ-2 adrenoceptors). Dobutamine hydrochloride is a selective β1-AR agonist, relatively weak activity at α1-AR and β2-AR. Dobutamine hydrochloride can increase cardiac output and correct hypoperfusion[1][2][3][4].
Oxiperomide
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Dizocilpine maleate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D020011 - Protective Agents Dizocilpine maleate (MK-801 maleate) is a potent, selective and non-competitive NMDA receptor antagonist with Kd of 37.2 nM in rat brain membranes.
(R)-(+)-trans-4-(1-Aminoethyl)-N-(4-pyridyl)cyclohexanecarboxamide Dihydrochloride Monohydrate
C14H25Cl2N3O2 (337.13237300000003)
5-{[(7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
Phenserine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
(R)-3-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-5-(hydroxyMethyl)oxazolidin-2-one
C16H21BFNO5 (337.1496738000001)
Voxelotor
C78275 - Agent Affecting Blood or Body Fluid B - Blood and blood forming organs D006401 - Hematologic Agents
ethyl 2-piperazine-4-cyclopentylethyl thiazole-5-carboxylate
tert-Butyl 4-(5-methoxy-2-nitrophenyl)piperazine-1-carboxylate
C16H23N3O5 (337.16376280000003)
(-)-Dizocilpine
(-)-Dizocilpine maleate ((-)-MK-801 maleate) is a less active (-)-enantiomer of Dizocilpine. (-)-Dizocilpine maleate is a selective and non-competitive N-methyl-D-aspartate (NMDA) receptor antagonist with a Ki of 211.7 nM. (-)-Dizocilpine maleate has antidepressant effects[1][2]. (-)-Dizocilpine maleate ((-)-MK-801 maleate) is a less active (-)-enantiomer of Dizocilpine. (-)-Dizocilpine maleate is a selective and non-competitive N-methyl-D-aspartate (NMDA) receptor antagonist with a Ki of 211.7 nM. (-)-Dizocilpine maleate has antidepressant effects[1][2].
Isoxsuprine hydrochloride
C18H24ClNO3 (337.14446240000007)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Isoxsuprine hydrochloride is a beta-adrenergic receptor agonist with Kis of 13.65 μΜ and 3.48 μΜ for myometrial and placcntal beta-adrenergic receptor, respectively. Isoxsuprine hydrochloride is also a NMDA receptor antagonist.
AMG 9810
C21H23NO3 (337.16778480000005)
N-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Tecadenoson
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Tecadenoson (CVT-510) is a selective A1 adenosine receptor agonist. Tecadenoson (CVT-510) is a selective A1 adenosine receptor agonist.
Posiphen
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System D004791 - Enzyme Inhibitors
6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
C18H19N5O2 (337.15386739999997)
N-(p-Amylcinnamoyl)anthranilic acid
C21H23NO3 (337.16778480000005)
N-(p-amylcinnamoyl) Anthranilic Acid (ACA) is a broad spectrum Phospholipase A2 (PLA2) inhibitor and TRP channel blocker[1][2]. N-(p-amylcinnamoyl) Anthranilic Acid (ACA) is also an effective reversible inhibitor of calcium-activated chloride channels, has potential to treat arrhythmia[3].
Butocin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite
N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine
GS39783 is a positive allosteric modulator (PAM) of GABABR. Positive modulation of the GABABR can be used for the research of Nicotine addiction[1].
PF-670462 free base
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)butanoate
C18H24ClNO3 (337.14446240000007)
1-(2,4-Dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine
[4-(Benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone
N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide
4-[2-(Dimethylamino)ethylamino]-3-benzo[h]quinolinecarboxylic acid ethyl ester
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
N-[(1,2-dimethyl-5-indolyl)methyl]-2-methyl-3-nitrobenzamide
2-Piperidinone, 1-[1-oxo-3-[4-(phenylmethoxy)phenyl]propyl]-
C21H23NO3 (337.16778480000005)
(2S)-N-[(3Z)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-YL)phenyl]propanamide
C18H19N5O2 (337.15386739999997)
Sombrevin
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Ractopamine Hydrochloride
C18H24ClNO3 (337.14446240000007)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Oclacitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor
indole-3-acetyl-beta-4-D-glucose
Indole-3-acetyl-beta-4-d-glucose belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetyl-beta-4-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-acetyl-beta-4-d-glucose can be found in a number of food items such as tamarind, black-eyed pea, sweet potato, and sourdough, which makes indole-3-acetyl-beta-4-d-glucose a potential biomarker for the consumption of these food products. Indole-3-acetyl-β-4-d-glucose belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetyl-β-4-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-acetyl-β-4-d-glucose can be found in a number of food items such as tamarind, black-eyed pea, sweet potato, and sourdough, which makes indole-3-acetyl-β-4-d-glucose a potential biomarker for the consumption of these food products.
indole-3-acetyl-beta-6-D-glucose
Indole-3-acetyl-beta-6-d-glucose belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetyl-beta-6-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-acetyl-beta-6-d-glucose can be found in a number of food items such as apple, coconut, black mulberry, and american butterfish, which makes indole-3-acetyl-beta-6-d-glucose a potential biomarker for the consumption of these food products. Indole-3-acetyl-β-6-d-glucose belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. Indole-3-acetyl-β-6-d-glucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Indole-3-acetyl-β-6-d-glucose can be found in a number of food items such as apple, coconut, black mulberry, and american butterfish, which makes indole-3-acetyl-β-6-d-glucose a potential biomarker for the consumption of these food products.
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
2,3,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-9-one
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-methylpyridin-2-yl)benzamide
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-(1H-indol-3-yl)acetate
Tabersoninium(1+)
C21H25N2O2+ (337.19159299999995)
Conjugate acid of tabersonine arising from protonation of the tertiary amino group; major species at pH 7.3.
Plaquenil
C18H28ClN3O+2 (337.19207880000005)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors
1D-1-O-(indol-3-yl)acetyl-myo-inositol
A cyclitol ester that is 1D-myo-inositol bearing a indol-3-acetyl substituent at position 1.
N-beta-D-glucopyranosyl indole-3-acetic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
6-hydroxy-IAA-phenylalanine
C19H17N2O4- (337.11882620000006)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Catharanthine(1+)
C21H25N2O2+ (337.19159299999995)
An ammonium ion resulting from thr protonation of the tertiary amino group of catharanthine. D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
Dehydrosecodine(1+)
C21H25N2O2+ (337.19159299999995)
A tertiary ammonium ion result from the protonation of the tertiary amino group of dehydrosecodine (the enamine form). An intermediate in the biosynthesis of aspidospermaand iboga alkaloids.
(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-)
C20H21N2O3- (337.15520960000003)
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2,5-diaminopentyl)oxolane-3,4-diol
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol
(2S,3S)-3-methyl-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-5-oxopent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
5-amino-1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamide
C18H19N5O2 (337.15386739999997)
N-(1,4-Dihydroxy-4-methylpentan-2-YL)-3-hydroxy-5-oxo-6-phenylhexanamide
7-Hydroxy-8-(4-morpholinylmethyl)-3-phenyl-1-benzopyran-4-one
4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide
2-hydroxy-4-oxo-1-propyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
ethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1-cyclopropan]-2-yl)benzoate
4-{[4-(4-Methyl-benzyl)-piperazin-1-ylimino]-methyl}-benzoic acid
2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(dimethylamino)propyl]-1-ethylthiourea
N-(2-butan-2-ylphenyl)-7-nitro-1H-indole-2-carboxamide
2-[[2-(5,6-Dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
1-(2-Furanylmethyl)-3-(2-methylphenyl)-1-(3-pyridinylmethyl)thiourea
1-(4-Chlorophenyl)-1-cyclohexyl-3-(4-morpholinyl)-1-propanol
C19H28ClNO2 (337.18084580000004)
2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide
N-(2-methoxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
[3-[3-(5-Methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-phenylmethanone
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
(1Z)-1-[(5S)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2,4-dioxopyrrolidin-3-ylidene]ethanolate
C20H21N2O3- (337.15520960000003)
4-[2-[[(4-Fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester
N-[2-(diethylamino)ethyl]-2-(2-furanyl)-4-quinolinecarboxamide
4-[2-[[(3-Fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester
N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(4-hydroxyphenyl)butan-2-aminium chloride
C18H24ClNO3 (337.14446240000007)
(2R,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2R,3R,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenylazetidine-1-carboxamide
(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenylazetidine-1-carboxamide
3-(allylsulfanyl)-4-[4-(benzyloxy)phenyl]-5-methyl-4H-1,2,4-triazole
(2S,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2S,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2R,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide
Methyl (2E,3E,5E,7E)-13-amino-2-ethylidene-11,12-dihydroxy-4,10-dimethyl-13-oxotrideca-3,5,7-trienoate
N-hydroxy-N-[(E)-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexylidene]amino]hexanediamide
N-hydroxy-N-[(E)-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]hexanediamide
1-Acetoxy-3-(N-acetyl-2-acetoxyethylamino)-5-methoxy-2,6-dimethylbenzene
N-Trimethylsilylphenylacetylglycine trimethylsilyl ester
methyl (1R,12S,14S,15Z)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
C21H25N2O2+ (337.19159299999995)
Kyotorphin
C15H23N5O4 (337.17499580000003)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004723 - Endorphins Kyotorphin is an endogenou neuroactive dipeptide with analgesic properties. Kyotorphin possesses anti-inflammatory and antimicrobial activity. Kyotorphin levels in cerebro-spinal fluid correlate negatively with the progression of neurodegeneration in Alzheimer's Disease patients[1].
1-O-indol-3-Ylacetyl-beta-D-glucose
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
ZM 241385
ZM241385 is a potent, high affinity and selective adenosine A2a receptor (A2AR) antagonist with a Ki value of 1.4 nM[1][2][3].
N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-acetamide
C16H20FN3O4 (337.14377720000005)
(3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-)
C20H21N2O3 (337.15520960000003)
Conjugate base of (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione arising from deprotonation of the enolic hydroxy group; major species at pH 7.3.
angryline(1+)
C21H25N2O2 (337.19159299999995)
A methyl ester resulting from the formal condensation of the carboxy group of (5S,12bR,12cS)-7-carboxy-1-ethyl-3,6,8,12c-tetrahydro-4H-5,12b-ethanoindolo[3,2-a]quinolizin-5-ium with methanol.
AMPK activator 2 (hydrochloride)
AMPK activator 2 (compound 7a) hydrochloride, a fluorine-containing proguanil derivative, up-regulates AMPK signal pathway and downregulates mTOR/4EBP1/p70S6K. AMPK activator 2 hydrochloride inhibits proliferation and migration of human cancer cell lines (UMUC3, T24, A549)[1].
ISAM-140
ISAM-140 (22b) is a potent and highly selective A2B adenosine receptor antagonist with a Ki of 3.49 nM[1].
S1RA
S1RA (E-52862) is a highly selective σ1 receptor (σ1R) antagonist with Kis of 17 nM and 23.5 nM for human σ1R and guinea pig σ1R, respectively. S1RA has Moderate antagonistic activity for human 5-HT2B receptor (Ki= 328 nM). S1RA has antinociceptive effects in neuropathic pain models. S1RA prevents mechanical and cold hypersensitivity in Oxaliplatin (HY-17371)-treated mice[1][2].
3-hydroxy-4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
{6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate
(1r,2r,3r,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-(1h-indol-3-yl)acetate
2,3,4,5,6-pentahydroxycyclohexyl 2-(1h-indol-2-yl)acetate
10-hydroxy-12-methoxy-2,2,11-trimethyl-1-oxa-11-azatetracen-6-one
(1r,5r,7r,8r,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
(1s,4z,6r,7s,11r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
6,7-dimethoxy-1-(4-methoxybenzoyl)-4-methylisoquinoline
(1r,3r,5s,6r)-8-methyl-6-[(3-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl (2e)-4-hydroxy-3-methylbut-2-enoate
(1r,4s,6s,7s,17r)-4-ethyl-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,4e,6r,7r,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylate
(1r,3s,5s,6r,7r)-7-hydroxy-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2z)-2-methylbut-2-enoate
(1s,24s)-24-methyl-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-2,4(8),9,15,20,22-hexaene
methyl 3-(4-hydroxyphenyl)-2-methoxy-2-(3-methyl-2-oxobutanamido)-3-oxopropanoate
{1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl}acetic acid
1-[(1s,2r)-1-amino-2-{[(1r,2s)-2-amino-1-hydroxy-2-(4-oxopyridin-1-yl)ethyl](hydroxy)amino}-2-hydroxyethyl]pyridin-4-one
(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
{"Ingredient_id": "HBIN009621","Ingredient_name": "(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one","Alias": "(3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-2-tetrahydrofuranyl]-2'-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-oxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3-[(2S,4S)-5-keto-4-methyl-tetrahydrofuran-2-yl]-3'-methyl-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one; (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-tetrahydrofuran-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one","Ingredient_formula": "C18H27NO5","Ingredient_Smile": "NA","Ingredient_weight": "337.41","OB_score": "85.51848529","CAS_id": "885056-81-5","SymMap_id": "SMIT10570","TCMID_id": "NA","TCMSP_id": "MOL009441","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-3,6-bis(tigloyloxy)tropane
{"Ingredient_id": "HBIN013226","Ingredient_name": "7-hydroxy-3,6-bis(tigloyloxy)tropane","Alias": "NA","Ingredient_formula": "C18H27NO5","Ingredient_Smile": "CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O","Ingredient_weight": "337.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9855","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21159066","DrugBank_id": "NA"}
atalaphyllidine; 11,12-n,o-di-me
{"Ingredient_id": "HBIN017269","Ingredient_name": "atalaphyllidine; 11,12-n,o-di-me","Alias": "NA","Ingredient_formula": "C20H19NO4","Ingredient_Smile": "NA","Ingredient_weight": "337.37","OB_score": "NA","CAS_id": "51179-68-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6507","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2s,3r,5s,6r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,6-triol
(2s,3r,3's,4r,9'as)-3-hydroxy-4-methyl-3'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
(9s)-10-acetyl-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
6'-hydroxy-4-methyl-3'-(4-methyl-5-oxooxolan-2-yl)-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
1-[(9s)-16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-yl]butan-1-one
C21H23NO3 (337.16778480000005)
(1r,5r,7r,8s,12s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadecane-3,9-dione
(1r,3r,5s,6s,7r)-7-hydroxy-8-methyl-3-{[(2e)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-6-yl (2e)-2-methylbut-2-enoate
4-[(8ar)-6-(4-hydroxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-2-methoxyphenol
C21H23NO3 (337.16778480000005)
2-[(2-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]amino}-1-hydroxypropylidene)amino]benzoic acid
1-[(12r)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl]ethanone
(1r,4z,6r,7s,11s,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-(1h-indol-2-yl)acetate
[(1s,7r)-7-{[(2e)-2-methylbut-2-enoyl]oxy}-hexahydro-1h-pyrrolizin-1-yl]methyl (2z)-2-(hydroxymethyl)but-2-enoate
1-[(12s,13r)-13-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl]ethanone
(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl 5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylate
4-[6-(4-hydroxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-2-methoxyphenol
C21H23NO3 (337.16778480000005)
7-hydroxy-8-methyl-3-[(2-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-6-yl 2-methylbut-2-enoate
(4z,11s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
8-methyl-6-[(3-methylbut-2-enoyl)oxy]-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methylbut-2-enoate
(1r,4e,7r,8r,12s,18r)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadec-4-ene-3,9-dione
(2s,3's,4r,6'r,9'as)-6'-hydroxy-4-methyl-3'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-octahydrospiro[oxolane-2,9'-pyrrolo[1,2-a]azepin]-5-one
{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-(hydroxymethyl)but-2-enoate
15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,12,14(19),15,17-heptaene
1-{2-[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]indol-1-yl}ethanone
17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19)-hexaen-18-one
(1r,4z,6r,7r,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(17s)-17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19)-hexaen-18-one
(1r,3r,5s,6r)-8-methyl-6-{[(2z)-2-methylbut-2-enoyl]oxy}-8-azabicyclo[3.2.1]octan-3-yl (2e)-4-hydroxy-3-methylbut-2-enoate
10-acetyl-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
(1r,4z,6r,7s,11s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(2r,3s,4s,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl 2-(1h-indol-3-yl)acetate
(3s)-2-acetyl-3-(1-methylhydrazin-1-yl)butanedioic acid; oxindole
1-[(2r)-2-hydroxypropyl]-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione
C21H23NO3 (337.16778480000005)
1-{16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-yl}ethanone
1-(2-hydroxypropyl)-2-methyl-6-(3-methylbut-2-en-1-yl)-9h-carbazole-3,4-dione
C21H23NO3 (337.16778480000005)