Exact Mass: 385.1782
Exact Mass Matches: 385.1782
Found 500 metabolites which its exact mass value is equals to given mass value 385.1782
,
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
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
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
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).
(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
4'-Hydroxycilostazol, trans-
Bamifylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Bifeprunox
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Colchiceine
Isopropylphenyladenosine
Minoxidil Glucuronide
n6-phenylisopropyladenosine
Stachyflin
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
BAMIFYLLINE
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
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
1-Methoxy-3-[3,5-dimethyl-6-(1-methylpropyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-5-phenylpyridine-2(1H)-one
(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
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
methyl 4-[(E)-2-acetyl-4-oxoundec-1-enyl]-6-[(E)-prop-1-enyl]-nicotinate|monascopyridine F|Monasnicotinate C
4,6-dihydroxy-5-[(2E,6E)-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)oxy]-2,3-dihydro-1H-isoindol-1-one|emeriphenolicin F
(+-)-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].
(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
C23H31NO4_Spiro[2H-furo[2,3-e]isoindole-2,1(2H)-naphthalen]-6(3H)-one, 3,4,4a,5,6,7,7,8,8,8a-decahydro-4,6-dihydroxy-2,5,5,8a-tetramethyl-, (2R,2R,6R,8aS)
(3R,7R,8R,8aS)-3,4-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2-7,8-dihydro-3H-furo[2,3-e]isoindole]-6-one
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 Arg Gly
Gly Pro Val Asn
Gly Arg Gly Pro
Gly Arg Pro Gly
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 Gly Arg
Pro Gly Asn Val
Pro Gly Arg Gly
Pro Gly Val Asn
Pro Asn Gly Val
Pro Asn Val Gly
Pro Gln Ala Ala
Pro Arg Gly Gly
Pro Val Gly Asn
Pro Val Asn Gly
Gln Ala Ala Pro
Gln Ala Pro Ala
Gln Pro Ala Ala
Arg Gly Gly Pro
Arg Gly Pro Gly
Arg Pro Gly Gly
Val Gly Asn Pro
Val Gly Pro Asn
Val Asn Gly Pro
Val Asn Pro Gly
Val Pro Gly Asn
Val Pro Asn Gly
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
(4S,5S)-1,3-DIMETHYL-4,5-DIPHENYL-2-[(R)-1-BENZYL-2-HYDROXYETHYLIMINO]IMIDAZOLIDINE
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
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
2-(6,7-DIMETHOXY-3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YLMETHYLSULFANYL)-BENZOIC ACID
(5-(4-Fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
(R,S)-FMOC-1,3-DIHYDRO-2H-ISOINDOLE CARBOXYLIC ACID
4-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1-Biphenyl]-2-carbonitrile
(4R,5S)-1-BENZYL-4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
(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
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
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
Methylsamidorphan
C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
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
6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-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
(4as)-5-[(2,4-Diaminopteridin-6-Yl)methyl]-4a,5-Dihydro-2h-Dibenzo[b,F]azepin-8-Ol
N-[(3S)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]-L-isoleucyl-L-proline
[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
3-Hydroxy-16-methoxy-2,3-dihydrotabersoninium
An indole alkaloid cation that is the conjugate acid of 3-hydroxy-16-methoxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino function; major species at pH 7.3.
3-[(2Z,4Z)-5-carbamoyl-3-(dimethylamino)-4-hydroxypenta-2,4-dien-1-yl]-1,8-dihydroxy-4-methylnaphthalene-2-carboxylate
1-[2-(Diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
(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
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
{3-(3-chlorobenzyl)-1-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperidin-3-yl}methanol
N-[(cyclohexylamino)-oxomethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-4-quinazolinamine
(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
[(2S,3S,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
4-[4-[(1S,5R)-3-[cyclohexyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
[(2R,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
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
[(2S,3R,4R)-1-(4-ethyl-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methanol
[(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
Methyl (1S,9R,10S,12S,15R)-13-ethenyl-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
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
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
(5S,6Z,8E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoate
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
8-[3-hydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxynonanoate
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
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
(1Z)-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde
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
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].
methyl (1r,3r,4r,14s)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
(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
2-(4,8-dimethylnona-3,7-dien-1-yl)-2-methyl-3h,4h,9h-pyrano[2,3-e]isoindole-3,5,7-triol
(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
methyl 2-hydroxy-5,20-dimethyl-9-oxa-3-azaheptacyclo[9.8.1.1¹,¹⁴.0²,⁶.0³,¹⁰.0⁸,²⁰.0¹⁷,²¹]henicos-14(21)-ene-18-carboxylate
(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
methyl (1'r,5's,11'r,12'r)-6-ethyl-3'-methyl-9'-oxo-2,4-dihydro-3'-azaspiro[pyran-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylate
1,4-dihydroxy-3-[(6r)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)pyridin-2-one
methyl (1r,3r,4r,10s,14s,19r)-19-hydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
(2z,4e,7r,8s,9s,10r)-9-hydroxy-8,10-dimethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}dodeca-2,4-dienimidic acid
(2r,2'r,4'as,6's,8'as)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',8-triol
(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
2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',8-triol
(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
(2r,2's,4'as,6'r,8'as)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',8-triol
5-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-3h-isoindole-1,4,6-triol
(1s,9r,10s,12s,13e,15s,18s)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-18-(methoxycarbonyl)-15-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-trien-15-ium
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"}