Exact Mass: 385.1616
Exact Mass Matches: 385.1616
Found 500 metabolites which its exact mass value is equals to given mass value 385.1616
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Polycarpine
O-methylandrocymbine
O-Methylandrocymbine is an isoquinoline alkaloid. O-methylandrocymbine has been reported in Colchicum ritchii, Colchicum schimperi, and Colchicum szovitsii
Nocardicin G
A monobactam obtained by formal condensation of the carboxy group of (2R)-amino(4-hydroxyphenyl)acetic acid with the amino group of (2R)-[(3S)-3-amino-2-oxoazetidin-1-yl](4-hydroxyphenyl)acetic acid
Tepoxalin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Tepoxalin is a dual inhibitor of COX and 5-lipoxygenase (5-LO) with potent anti-inflammatory activity and a favorable gastrointestinal profile[1].
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
This compound belongs to the family of O-Glucuronides. These are O-Glucuronides. Glucuronides in which the aglycone is linked to the carbohydrate unit through a o-glycosidic bond.
Vernakalant hydrochloride
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent C93038 - Cation Channel Blocker
Prifinium Bromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent Same as: D01377
Sarafloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic Sarafloxacin is used for control of Campylobacter infections in poultr It is used for control of Campylobacter infections in poultry
N-Methylporphyroxine
N-Methylporphyroxine is an alkaloid from Papaver somniferum (opium poppy
Papaverrubine B
Papaverrubine B is found in opium poppy. Papaverrubine B is an alkaloid from Papaver rhoeas (corn poppy
Niazicin
Niazicin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niazicin (niazicin A and niazicin B, respectively) differ in the orientation of the NH group with respect to sulfur. Constituent of Moringa oleifera (horseradish tree). Niazicin A is found in fats and oils, herbs and spices, and green vegetables.
Glaucamine
Glaucamine is an alkaloid from Papaver rhoeas (corn poppy
Thalicpureine
Thalicpureine is found in beverages. Thalicpureine is an alkaloid from the leaves of Annona purpurea (soncoya). Alkaloid from the leaves of Annona purpurea (soncoya). Thalicpureine is found in beverages and fruits.
Romucosine H
Romucosine H is found in cherimoya. Romucosine H is an alkaloid from Annona cherimola (cherimoya).
Nilvadipine
Nilvadipine is only found in individuals that have used or taken this drug. It is a calcium channel blocker (CCB) for treatment of hypertension.Nilvadipine inhibits the influx of extracellular calcium through myocardial and vascular membrane pores by physically plugging the channel. The decrease in intracellular calcium inhibits the contractile processes of smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(R)-N-(1-Methyl-2-phenylethyl)adenosine
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents
2,5-Dioxopyrrolidin-1-YL 4-(pyren-1-YL)butanoate
3-Desmethylcolchicine
Bifeprunox
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(4As,5aS,6S,12aS)-1,6,10,11-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,12a-tetrahydro-4H-tetracene-2-carboxamide
(4As,5aR,6R,12aR)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Colchiceine
Fleroxacin N-oxide
Isopropylphenyladenosine
Minoxidil Glucuronide
n6-phenylisopropyladenosine
3-Demethylcolchicine
3-Demethylcolchicine, a colchicine metabolite, possesses a hydroxy-group on its carbon ring that could participate in radical scavenging and markedly inhibits the carrageenin edema[1][2]. 3-Demethylcolchicine, a colchicine metabolite, possesses a hydroxy-group on its carbon ring that could participate in radical scavenging and markedly inhibits the carrageenin edema[1][2].
N-Methylporphyroxine
Amisulpride N-Oxide
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3399 CONFIDENCE standard compound; INTERNAL_ID 2143
(5-(3-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
(5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
Racecadotril
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
N2-(N2-L-Pyroglutamyl-L-glutaminyl)-L-glutamin|N2-(N2-L-pyroglutamyl-L-glutaminyl)-L-glutamine
(7bR)-7t-Acetylamino-2-hydroxy-1,3,9-trimethoxy-(7br,10ac)-6,7,7b,10a-tetrahydro-5H-benzo[a]cyclopenta[3,4]-cyclobuta[1,2-c]cyclohepten-8-on|(7bR)-7t-acetylamino-2-hydroxy-1,3,9-trimethoxy-(7br,10ac)-6,7,7b,10a-tetrahydro-5H-benzo[a]cyclopenta[3,4]-cyclobuta[1,2-c]cyclohepten-8-one|O2-De-Me-beta-Lumicolchicine
5-[(R)-Hydroxy-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isochinolin-5-yl)-methyl]-benzo[1,3]dioxol-4-carbonsaeure|5-[(R)-hydroxy-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-methyl]-benzo[1,3]dioxole-4-carboxylic acid
methyl 7-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-L-glycero-alpha-D-manno-heptopyranoside
(5RS)-3-methyl-5-{(1SR,2SR,3aRS,10bRS)-1-methyl-8-[(2SR,4SR)-4-methyl-5-oxotetrahydrofuran-2-yl]-1,3a,4,5,6,10b-hexahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yl}furan-2(5H)-one|bisdehydrostemocochinine
(+-)-aryapavine|11-hydroxy-12-hydroxymethyl-1,10-dimethoxy-2,3-methylenedioxyberbine|12-hydroxymethyl-10,14-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-11-ol|12-Hydroxymethylprotoberberin|Aryapavin|Aryapavine
O-Butyl (E)-[4-(alpha-L-rhamnosyloxy)benzyl]thiocarbamate|O-butyl 4-[(alpha-L-rhamnosyloxy)benzyl]thiocarbamate
(S)-7-Dimethylamino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-on|(S)-7-dimethylamino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one|N,N-Dimethyl-desacetyl-colchicin|N,N-dimethyldeacetylcolchicine|N-Methyl-demecolcin|N-methyldemecolcine|N-Methyldemecolcine.|N-methyldemocolcine
2-Desmethyl-beta-lumicolchicin|O2-Demethyl-beta-lumicolchicin|O3-De-Me-beta-Lumicolchicine
2-acetamido-2-deoxy-3-O-(beta-D-galactopyranosyl)-D-galactitol|2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactitol|beta-D-Gal-(1->3)-D-GalNAcol|beta-D-Galp(1->3)-D-GalNAc-ol|beta-Gal-(1-3)-GalNAc-ol
(-)-8-oxo-11-hydroxy-2,3,9,10-tetramethoxyberberine
(S)-4,9,10,11-tetramethoxy-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinoline|Nor-Leucoxylonin|Norleucoxylonine
(+)-ocoxylonine|(S)-4,10,11-trimethoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-9-ol|Ocoxylonin|Ocoxylonine
NCI60_001400
3-Desmethylcolchicine is a natural product found in Colchicum arenarium, Colchicum bivonae, and other organisms with data available. 3-Demethylcolchicine, a colchicine metabolite, possesses a hydroxy-group on its carbon ring that could participate in radical scavenging and markedly inhibits the carrageenin edema[1][2]. 3-Demethylcolchicine, a colchicine metabolite, possesses a hydroxy-group on its carbon ring that could participate in radical scavenging and markedly inhibits the carrageenin edema[1][2].
Sarafloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3620 EAWAG_UCHEM_ID 3620; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1035
(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl)methanol
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.682 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.677
Ala Ala Pro Gln
Ala Ala Gln Pro
Ala Pro Ala Gln
Ala Pro Gln Ala
Ala Gln Ala Pro
Ala Gln Pro Ala
Gly Gly Pro Arg
Gly Gly Arg Pro
Gly Asn Pro Val
Gly Asn Val Pro
Gly Pro Gly Arg
Gly Pro Asn Val
Gly Pro Val Asn
Gly Val Asn Pro
Gly Val Pro Asn
3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3S,4R)-glucuronide
Desmethylcolchicine
3-Demethylcolchicine, a colchicine metabolite, possesses a hydroxy-group on its carbon ring that could participate in radical scavenging and markedly inhibits the carrageenin edema[1][2]. 3-Demethylcolchicine, a colchicine metabolite, possesses a hydroxy-group on its carbon ring that could participate in radical scavenging and markedly inhibits the carrageenin edema[1][2].
Asn Gly Pro Val
Asn Gly Val Pro
Asn Pro Gly Val
Asn Pro Val Gly
Asn Val Gly Pro
Asn Val Pro Gly
Pro Ala Ala Gln
Pro Ala Gln Ala
Pro Gly Asn Val
Pro Gly Val Asn
Pro Asn Gly Val
Pro Asn Val Gly
Pro Gln Ala Ala
Pro Val Gly Asn
Pro Val Asn Gly
Gln Ala Ala Pro
Gln Ala Pro Ala
Gln Pro Ala Ala
Val Gly Asn Pro
Val Gly Pro Asn
Val Asn Gly Pro
Val Asn Pro Gly
Val Pro Gly Asn
Val Pro Asn Gly
Nilvadipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Glaucamine
Papaverrubine B
Thalicpureine
A phenanthrene substituted by a 2-(methylamino)ethyl group at position 1 and by methoxy groups at positions 2,3,4,6 and 7, respectively. It is a plant metabolite isolated from Annona purpurea and Fagonia olivieri.
Romucosine H
(S)-4-(4-(BENZYLOXY)PHENYL)-3-((TERT-BUTOXYCARBONYL)AMINO)BUTANOIC ACID
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-2-phenoxyacetamide
(R)?-?PIA
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents
2,6-dimethyl-4-(3-nitrophenyl)-5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester
BOC-(3S,4S)-4-AMINO-3-HYDROXY-5-(4-PHENYL)PHENYLPENTANOICACID
Ecadotril
D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
(+)-(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride Monohydrate
(2S,4R)-1-(tert-butoxycarbonyl)-4-(tosyloxy)pyrrolidine-2-carboxylic acid
2-(6,7-DIMETHOXY-3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YLMETHYLSULFANYL)-BENZOIC ACID
L-ASPARTIC ACID BIS-ALLYL ESTER P-TOLUENESULFONATE SALT
(5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
(R,S)-FMOC-1,3-DIHYDRO-2H-ISOINDOLE CARBOXYLIC ACID
Denibulin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
2-[ethyl[3-methyl-4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethanol
(4R,5S)-1-BENZYL-4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
2-METHOXY-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONE
(E)-4-Methyl-N-(2-oxo-1-phenyl-2-(piperidin-1-yl)ethylidene)benzenesulfonohydrazide
2-(7-Methoxy-1-naphthyl)-N-[2-(7-methoxy-1-naphthyl)ethyl]ethanamine
Acumapimod
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(-)-O,O-DIBENZOYL-L-TARTARIC ACID MONO(DIMETHYLAMIDE)
1-(2,4-dimethylbenzyl)-6-(1-methyl-1H-pyrrol-2-yl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
5-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione
Ciprofloxacin Hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic Ciprofloxacin (Bay-09867) hydrochloride monohydrate is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin hydrochloride monohydrate induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin hydrochloride monohydrate has anti-proliferative activity and induces apoptosis. Ciprofloxacin hydrochloride monohydrate is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
tert-Butyl 4-acetyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
2,2,2-TRIFLUORO-1-(4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZIN-1-YL)ETHANONE
3-{isopropyl[(Trans-4-Methylcyclohexyl)carbonyl]amino}-5-Phenylthiophene-2-Carboxylic Acid
6,8-Difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide
4-[[[4-(9H-fluoren-9-yl)-1-piperazinyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
1-[4-(2-pyridinyl)-1-piperazinyl]-2-(9H-xanthen-9-yl)ethanone
N-[2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-N-methyloxamide
N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
7-Acetamido-10-hydroxy-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
4-((3R,4S,5R)-4-Amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1H-pyrrol-2-YL)-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one
3(S)-Methylcarbamoyl-7-sulfoamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
3(R)-Methylcarbamoyl-7-sulfoamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
(4as)-5-[(2,4-Diaminopteridin-6-Yl)methyl]-4a,5-Dihydro-2h-Dibenzo[b,F]azepin-8-Ol
[N-(3-Dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid
Prifinium Bromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
[4,5-Dihydroxy-6-[4-[(methoxycarbothioylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate
3-[(2Z,4Z)-5-carbamoyl-3-(dimethylamino)-4-hydroxypenta-2,4-dien-1-yl]-1,8-dihydroxy-4-methylnaphthalene-2-carboxylate
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
N-[3-(1,3-benzothiazol-2-yl)-7-propan-2-yl-4,5,6,8-tetrahydrothieno[2,3-c]azepin-2-yl]acetamide
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-2-yl]acetamide
(7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1,2-e][7]annulene-9-carboxylic acid
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
5-[(4-Methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester
1-[1-[2-(4-Methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone
4-[[3-[[(4-Nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester
2-[4-(Cyclohexylamino)-3-nitrophenyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
3-(2-furanylmethyl)-4-oxo-N,N-dipropyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
1-benzyl-2-methyl-3-{(E)-[2-(5-nitropyridin-2-yl)hydrazinylidene]methyl}-1H-indole
2-amino-7-hydroxy-4,4,6-trimethyl-2-oxo-4H-spiro[chromene-4,1-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
3-[(2-Adamantylamino)-oxomethyl]-1-methylsulfonyl-1-pentylurea
3,4-dimethoxy-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
{3-(3-chlorobenzyl)-1-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]piperidin-3-yl}methanol
N-(4-chlorophenyl)-N-ethyl-6-(propan-2-ylamino)-4-(trifluoromethyl)-3-pyridinecarboxamide
{3-(3-chlorobenzyl)-1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-3-yl}methanol
4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-4-quinazolinamine
(3R,6R,14aR,14bR)-3-[(1R)-1-chloroethyl]-3,6-dihydroxy-6-methyl-5-methylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
(5Z)-5-[(1S,4S,5R,6S,8S,9S,13S)-9-[(E)-but-1-enyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
1-[4-[4-(4-Methyl-1-piperazinyl)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
1-[(1R)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2R,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
[(3aS,4R,9bS)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-(dimethylamino)-1-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
N-[(2S,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
[(3aR,4R,9bR)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyridin-4-ylmethanone
[(1R,5S)-7-[4-(2-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone
(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
(2S,3R)-2-(hydroxymethyl)-3-phenyl-N-propyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2R,3R)-2-(hydroxymethyl)-3-phenyl-N-propyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-1-carboxamide
1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
(2S,3R)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2S,3S)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2R,3R)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucitol
jacoline N-oxide
A pyrrolizine alkaloid that is jacoline in which the tertiary amino function has been oxidised to the corresponding N-oxide.
3-ethyl-2-[7-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl]-1,3-benzoxazol-3-ium
3-(beta-D-Glucopyranosyloxy)-2-phenyl-1-benzopyrylium
2-[(1E,3E,5E)-7-[3-Ethylbenzoxazole-2(3H)-ylidene]-1,3,5-heptatrienyl]-3-ethylbenzoxazole-3-ium
2-aminoethyl 4-O-beta-D-glucopyranosyl-alpha-D-glucopyranoside
2-acetamido-2-deoxy-3-O-D-galactopyranosyl-D-galactitol
N-[(2S,3R,4R,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
N-[(2S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
1-[2-(Diethylamino)ethyl]-5-pyridin-2-yl-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
2-aminoethyl 4-O-alpha-D-glucopyranosyl-alpha-D-galactopyranoside
N-[(3S)-1-quinolin-4-ylpyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
2-Amino-3-[hydroxy-(2-hydroxy-3-octanoyloxypropoxy)phosphoryl]oxypropanoic acid
TEPOXALIN
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Tepoxalin is a dual inhibitor of COX and 5-lipoxygenase (5-LO) with potent anti-inflammatory activity and a favorable gastrointestinal profile[1].
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
(1Z)-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde
nocardicin G zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of nocardicin G; major species at pH 7.3.
2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents
dehydrojaconine
A pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine and the 5-methyl group has been replaced by methylene.
MLS1082
MLS1082 is a pyrimidone-based D1-like dopamine receptor positive allosteric modulator, with an EC50 of 123 nM for DA-stimulated G protein signaling[1].
(1r,11s,13s)-11,16,17-trimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]docosa-2(10),3,5(9),14(19),15,17-hexaene
(16s,20s,23s)-17-hydroxy-13-methoxy-20,23-dimethyl-1,11,18-triazahexacyclo[10.8.2.1¹⁶,²⁰.0²,⁷.0⁸,²².0¹⁵,²¹]tricosa-2,4,6,8(22),9,11,13,15(21),17-nonaen-19-one
3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(17),2(7),3,5,14(18),15-hexaen-17-ol
2,3-dimethoxy-6-({6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)benzoic acid
5-[(r)-hydroxy[(5s)-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2h-1,3-benzodioxole-4-carboxylic acid
(e,2e)-3-(7-methoxy-1-methylindol-3-yl)-n-[(1e)-2-(1-methylindol-3-yl)ethenyl]prop-2-enimidic acid
(12bs)-2-hydroxy-3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
5-[(1r,3e,4r,5s,6r,8r,9r,13s)-9-[(1e)-but-1-en-1-yl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
(2e)-3-(3,4-dimethoxyphenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylprop-2-enamide
(1r,11r,13s)-16,17-dimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]docosa-2(10),3,5(9),14(19),15,17-hexaen-11-ol
3,4,5,17-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(17),2(7),3,5,14(18),15-hexaen-16-ol
3,4-bis(4-hydroxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
1,4-dihydroxy-3-[(6r)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)pyridin-2-one
(10s)-10-(dimethylamino)-3,4,5,14-tetramethoxytricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-13-one
(16r,20r,21s)-17-hydroxy-13-methoxy-20,21-dimethyl-1,11,18-triazahexacyclo[10.9.2.0²,⁷.0⁸,²³.0¹⁵,²².0¹⁶,²⁰]tricosa-2,4,6,8(23),9,11,13,15(22),17-nonaen-19-one
(1r,11s)-11,16,17-trimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]docosa-2(10),3,5(9),14(19),15,17-hexaene
12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.0²,¹⁰.0³,⁷.0¹³,¹⁸]henicosa-2,7,9,13(18),14,16-hexaene-1,15-diol
n-{4-hydroxy-3,5,14-trimethoxy-13-oxotetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl}ethanimidic acid
methyl 5-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate
β-hydrastine
{"Ingredient_id": "HBIN018149","Ingredient_name": "\u03b2-hydrastine","Alias": "NA","Ingredient_formula": "C21H23NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9701","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisdehydrostemoninine
{"Ingredient_id": "HBIN018615","Ingredient_name": "bisdehydrostemoninine","Alias": "NA","Ingredient_formula": "C22H27NO5","Ingredient_Smile": "CCC1C2C(CCCN3C2=CC=C3C4CC(C(=O)O4)C)OC15C=C(C(=O)O5)C","Ingredient_weight": "385.5 g/mol","OB_score": "38.50614129","CAS_id": "NA","SymMap_id": "SMIT10519","TCMID_id": "NA","TCMSP_id": "MOL009380","TCM_ID_id": "NA","PubChem_id": "11842856","DrugBank_id": "NA"}