Exact Mass: 381.1464568
Exact Mass Matches: 381.1464568
Found 500 metabolites which its exact mass value is equals to given mass value 381.1464568,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benthiavalicarb isopropyl
C18H24FN3O3S (381.15223260000005)
D016573 - Agrochemicals D010575 - Pesticides
cis-Zeatin-7-N-glucoside
Cis-zeatin-7-N-glucoside is an intermediate in cytokinins 7-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase.Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. When plants are subjected to high levels of cytokinin application, the major conjugate that forms is the 7-N-glucoside. Moreover, unlike O-glucosides, the glucosylation of which is reversible through the action of glucosidases, 7-N- and 9-N-glucosides are resistant to glucosidases. This, taken with N-glucosides accumulation in plant subjected to high doses of cytokinins, has led to the suggestion that N-glucosylation is involved in detoxification. [HMDB] cis-Zeatin-7-N-glucoside is an intermediate in cytokinins 7-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. When plants are subjected to high levels of cytokinin application, the major conjugate that forms is the 7-N-glucoside. Moreover, unlike O-glucosides, the glucosylation of which is reversible through the action of glucosidases, 7-N- and 9-N-glucosides are resistant to glucosidases. This, taken with N-glucosides accumulation in plants subjected to high doses of cytokinins, has led to the suggestion that N-glucosylation is involved in detoxification. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Azelastine
Azelastine is only found in individuals that have used or taken this drug. It is a phthalazine derivative, and is an antihistamine and mast cell stabilizer available as a nasal spray for hay fever and as eye drops for allergic conjunctivitis.Azelastine competes with histamine for the H1-receptor sites on effector cells and acts as an antagonist by inhibiting the release of histamine and other mediators involved in the allergic response. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors CONFIDENCE standard compound; INTERNAL_ID 8508 CONFIDENCE standard compound; INTERNAL_ID 2734 D018926 - Anti-Allergic Agents
6-(4-O-beta-D-Glucosyl-3-methyl-trans-but-2-enyl-amino)-purine
6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine, also known as trans-zeatin-O-glucoside or O-beta-D-glucosylzeatin, is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. 6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine can be found in a number of food items such as yellow wax bean, common verbena, black elderberry, and sacred lotus, which makes 6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine a potential biomarker for the consumption of these food products.
Petasitenine
Alkaloid from Petasites japonicus (sweet coltsfoot). Petasitenine is found in giant butterbur and green vegetables. Petasitenine is found in giant butterbur. Petasitenine is an alkaloid from Petasites japonicus (sweet coltsfoot
8-desmethylnovobiocic acid
C21H19NO6 (381.12123140000006)
A hydroxycoumarin that is novobiocic acid lacking the 8-methyl group.
cis-Zeatin O-glucoside
cis-Zeatin O-glucoside, also known as O-beta-D-glucosylzeatin, belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol, a phosphorylated alcohol (phosphoprenol), or a hydroxy fatty acid, or to one carboxyl group of a fatty acid (ester linkage) or an amino alcohol. cis-Zeatin O-glucoside is a very strong basic compound (based on its pKa). cis-Zeatin O-glucoside is an intermediate in zeatin biosynthesis. It is generated from cis-zeatin via the enzyme cis-zeatin O-beta-D-glucosyltransferase (EC 2.4.1.215).
Rabeprazole sodium
C18H20N3NaO3S (381.1123010000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
cis-Zeatin-9-N-glucoside
Cis-zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase.Glucosylation of cytokinins is a well recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. [HMDB] cis-Zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase. Glucosylation of cytokinins is a well-recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation.
(R)-Pantothenic acid 4'-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
(R)-Pantothenic acid 4-O-b-D-glucoside is found in garden tomato. (R)-Pantothenic acid 4-O-b-D-glucoside is isolated from tomato juice. Isolated from tomato juice. (R)-Pantothenic acid 4-O-b-D-glucoside is found in garden tomato.
Oxopurpureine
C21H19NO6 (381.12123140000006)
Oxopurpureine is found in beverages. Oxopurpureine is an alkaloid from the stems and leaves of Annona purpurea (soncoya). Alkaloid from the stems and leaves of Annona purpurea (soncoya). Oxopurpureine is found in beverages and fruits.
N-Acetyl-9-O-lactoylneuraminic acid
N-Acetyl-9-O-lactoylneuraminic acid is a sialic acid produced by sialate 9-O-lactoyltransferases. Lactoylation of CMP-N-acetylneuraminic acid, N-acetylneuramimic acid and glycoconjugate-bound N-acetylneuramimic acid has been observed, with the glycoconjugate form being the best substrate. A sialic acid produced by sialate 9-O-lactoyltransferases. Lactoylation of CMP-N-acetylneuraminic acid, N-acetylneuramimic acid and glycoconjugate-bound N-acetylneuramimic acid has been observed, with the glycoconjugate form being the best substrate. [HMDB]
Raphanatin
Raphanatin is found in root vegetables. Raphanatin is produced by Raphanus sativus (radish
Amoxicilloyl
C17H23N3O5S (381.13583480000005)
BENPERIDOL
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
2-Hydroxy-4-carboxybutyrylhistidylprolinamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Fendosal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Lavendustin A
C21H19NO6 (381.12123140000006)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
(5Z)-5-[[4-[(1-Pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
C20H19N3O3S (381.11470640000005)
Pleconaril
C18H18F3N3O3 (381.13001940000004)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Xaliproden
C24H22F3N (381.17042480000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C26170 - Protective Agent > C1509 - Neuroprotective Agent N - Nervous system
Zolantidine
C22H27N3OS (381.18747320000006)
2-Methylthio-N6-(delta2-isopentenyl)adenosine
C16H23N5O4S (381.14706780000006)
2-methylthio-n6-(delta2-isopentenyl)adenosine, also known as n(6)-(delta(2)-isopentenyl)-2-methylthioadenosine or 2-mtia, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 2-methylthio-n6-(delta2-isopentenyl)adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylthio-n6-(delta2-isopentenyl)adenosine can be found in cauliflower, which makes 2-methylthio-n6-(delta2-isopentenyl)adenosine a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
(E)-Zeatin glucoside
(e)-zeatin glucoside is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol (e)-zeatin glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-zeatin glucoside can be found in soy bean, which makes (e)-zeatin glucoside a potential biomarker for the consumption of this food product.
Arnottianamide
C21H19NO6 (381.12123140000006)
2,3,9,10-Tetramethoxy-13-methyl-5,6-dihydro-8H-dibenzo[a,g]quinolizine-8-one
C22H23NO5 (381.15761480000003)
BENPERIDOL
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Adenosyl-Ornithine;A-9145;Antibiotic 32232RP
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1h-indole-3-carboxamide
Glutamyl-S-(C3H7S)-cysteinylglycine
C13H23N3O6S2 (381.10282179999996)
Annotation level-3
Lavendustin A
C21H19NO6 (381.12123140000006)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
torrubiellone C
C22H23NO5 (381.15761480000003)
A natural product found in Torrubiella species.
10-O-demethyl-12-O-methylarnottianamide
C21H19NO6 (381.12123140000006)
(+/-)-pictonamine|13-deoxy-chilenine methyl enol ether|9,10,13-trimethoxy-5,6-dihydro-[1,3]dioxolo[4,5:4,5]benzo[1,2:4,5]azepino[2,1-a]isoindol-8-one|Pictonamine
C21H19NO6 (381.12123140000006)
bruceolline F
An indole alkaloid that is 1H-indole substituted by a (2S)-2,3-dihydroxy-3-methylbutyl group at position 3 and a beta-D-glucopyranosyl group attached to the indolic nitrogen. It has been isolated from the ethanol extract of the stems of Brucea mollis.
13-methoxy-8-oxyberberine|13-methoxy-oxoberberine|13-Methoxyberberin|13-methoxyberberine|13-Methoxyoxoberberine|9,10,13-trimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-8-one
C21H19NO6 (381.12123140000006)
3alpha,7beta-dibenzoyloxy-6beta-hydroxy-tropane|alaternifoline
C22H23NO5 (381.15761480000003)
2-Methylthio-N6-isopentenyladenosine
C16H23N5O4S (381.14706780000006)
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)pentanedioic acid
Otosenin
Otosenine is a pyrrolizine alkaloid that is produced by several Jacobaea and Senecio species. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, a tertiary amino compound, a tertiary alcohol, a pyrrolizine alkaloid, an organic heterobicyclic compound, a spiro-epoxide and an enone. Otosenine is a natural product found in Doronicum austriacum, Doronicum macrophyllum, and other organisms with data available. A pyrrolizine alkaloid that is produced by several Jacobaea and Senecio species.
benthiavalicarb-isopropyl
C18H24FN3O3S (381.15223260000005)
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 3055
Trans-Zeatin-9-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Trans-Zeatin-9-glucoside-[d5]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
trans-Zeatin-O-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Trans-Zeatin-7-glucoside-[d5]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
cis-Zeatin-9-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
cis-Zeatin-O-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde
C22H23NO5 (381.15761480000003)
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.273
Otosenine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.260 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.248
4-Hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-chromen-2-one
C21H19NO6 (381.12123140000006)
azelastine
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D018926 - Anti-Allergic Agents
cis-Zeatin-7-N-glucoside
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Raphanatin
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
OXOPURPUREINE
C21H19NO6 (381.12123140000006)
(R)-Pantothenic acid 4'-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
cis-Zeatin 9-glucoside
Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate
C20H28ClNO4 (381.1706758000001)
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] acetate
C22H17F2NO3 (381.11764360000006)
5-(trityloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
TERT-BUTYL 2-((TERT-BUTOXYCARBONYL)AMINO)-6-((METHYLSULFONYL)OXY)HEXANOATE
(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone
4-AMINO-2-OXO-PYRIMIDINYL-OXATHIOLANE-2-CARBOXYLIC ACID-ISOPROPYL-METHYL-CYCLOHEXYL ESTER
C18H27N3O4S (381.17221820000003)
Pyrimido[2,1-f]purine-7-carboxaldehyde,1,2,3,4,8,9-hexahydro-6-hydroxy-1,3-dimethyl-2,4,8-trioxo-9-(phenylmethyl)-
C18H15N5O5 (381.10731400000003)
N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONAMIDE
C20H22F3NO3 (381.15516980000007)
Urea, N-[(2-chloro-6,8-dimethyl-3-quinolinyl)methyl]-N-(1-methylethyl)-N-phenyl- (9CI)
2-benzhydryloxyethyl(trimethyl)azanium,methyl sulfate
Urea, N-(4-chlorophenyl)-N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]- (9CI)
C21H20ClN3O2 (381.12439700000004)
3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
(2R-CIS)-5-(4-AMINO-1,2-DIHYDRO-2-OXO-1-PYRIMIDINYL)
C18H27N3O4S (381.17221820000003)
Acodazole hydrochloride
C20H20ClN5O (381.13563000000005)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
(3-bromo-4-hydroxy-3-nitropentan-2-yl) decanoate
C15H28BrNO5 (381.11507380000006)
Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
C20H22F3NO3 (381.15516980000007)
Bevantolol hydrochloride
C20H28ClNO4 (381.1706758000001)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Bevantolol hydrochloride is a selective β1 and α1-adrenergic receptor antagonist with pKi values of 7.83, 6.9 in rat cerebral cortex, respectively. Bevantolol hydrochloride is a potent Ca2+ antagonist[1][2].
4-FMOC-3-(2-CARBOXY-ETHYL)-MORPHOLINE
C22H23NO5 (381.15761480000003)
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)-
C21H20ClN3O2 (381.12439700000004)
1-Pyrrolidinecarboxylic acid, 2-[(carboxyMethoxy)Methyl]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
C22H23NO5 (381.15761480000003)
[4-(2,4-difluorophenyl)-2-(ethylcarbamoyl)phenyl] benzoate
C22H17F2NO3 (381.11764360000006)
[4-(2,4-difluorophenyl)-2-(dimethylcarbamoyl)phenyl] benzoate
C22H17F2NO3 (381.11764360000006)
(S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride
C19H24ClNO5 (381.13429240000005)
4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
Methyl4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-carboxylate
C17H20FN3O4S (381.11584920000007)
Sinefungin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents An adenosine that is the the delta-(5-adenosyl) derivative of ornithine. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent COVID info from PDB, Protein Data Bank C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-Nitrophenyl4,6-cyclohexylidene-b-D-mannopyranoside
LJH-685
LJH685 is a potent, ATP-competitive and selective RSK inhibitor, inhibits RSK1, 2, and 3 biochemical activities with IC50s of 6, 5, 4 nM, respectively[1].
Tyroserleutide
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
ethyl 8-cyano-7-Methoxy-2-(p-tolylthioMethyl)iMidazo[1,2-a]pyridine-3-carboxylate
C20H19N3O3S (381.11470640000005)
[1,1:3,1-Terphenyl]-4,4-dicarbonitrile, 5-(4-cyanophenyl)-
1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine Dihydrochloride
C15H25Cl2N3O4 (381.12220300000007)
4-(4-BENZYLPIPERAZINO)-1H-INDOLE DIHYDROCHLORIDE MONOHYDRATE
C19H25Cl2N3O (381.13745800000004)
1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea
C18H24ClN3O2S (381.12776740000004)
N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid
Esmirtazapine maleate
C21H23N3O4 (381.16884780000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Zolantidine
C22H27N3OS (381.18747320000006)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
3-[1-butyl-5-(diethylsulfamoyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
C18H27N3O4S (381.17221820000003)
2-(2-furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C20H19N3O3S (381.11470640000005)
2-[[2-(3,4-Dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]butanoic acid
C22H23NO5 (381.15761480000003)
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
8-(Diethylaminomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-1-benzopyran-4-one
C22H23NO5 (381.15761480000003)
(E)-3-(Cyclopropylethynyl)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one
C22H23NO5 (381.15761480000003)
N-((2-Aminopyrimidin-5-Yl)methyl)-5-(2,6-Difluorophenyl)-3-Ethylpyrazolo[1,5-A]pyrimidin-7-Amine
[[(3r,4r,5s,6r)-3-(Butanoylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)oxan-2-Ylidene]amino] N-Phenylcarbamate
6-Fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1H-indole-5-carboxamidine
[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]quinazolin-2-Yl}imino)cyclohexa-2,5-Dien-1-Yl]acetonitrile
Pleconaril
C18H18F3N3O3 (381.13001940000004)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Xaliproden
C24H22F3N (381.17042480000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C26170 - Protective Agent > C1509 - Neuroprotective Agent N - Nervous system
Fendosal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-[4-(6-Fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
7-Benzyl-6-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2E)-2-methyl-4-[(7H-purin-6-yl)amino]but-2-en-1-yl]oxy}oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-7-yl]oxane-3,4,5-triol
(2S,5S)-2,5-diamino-6-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
(5Z)-5-[[4-[(1-Pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
C20H19N3O3S (381.11470640000005)
2-[1-[[2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxopropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
C17H23N3O5S (381.13583480000005)
1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O3S (381.11470640000005)
1-[2-Fluoro-4,5-bis(phenylmethoxy)phenyl]-2-(methylamino)ethanol
C23H24FNO3 (381.17401259999997)
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide
C22H23NO5 (381.15761480000003)
3-(2-Furanylmethyl)-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C20H19N3O3S (381.11470640000005)
1-(4-Fluorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
C17H20FN3O4S (381.11584920000007)
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
C21H23N3O4 (381.16884780000004)
5-[(4-fluorophenyl)methylsulfonylmethyl]-N-(2-oxolanylmethyl)-2-furancarboxamide
C18H20FNO5S (381.10461620000007)
N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamide
C22H17F2NO3 (381.11764360000006)
1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
C19H18F3NO4 (381.11878640000003)
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
C17H21F6N3 (381.16395780000005)
1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
C21H23N3O4 (381.16884780000004)
1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O3S (381.11470640000005)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
C20H19N3O5 (381.13246440000006)
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
C21H23N3O4 (381.16884780000004)
2-[9-(4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
C22H23NO5 (381.15761480000003)
2-methyl-N-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazide
1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
C21H23N3O4 (381.16884780000004)
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolyl)acetamide
C21H23N3O4 (381.16884780000004)
2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
C21H20FN3OS (381.13110420000004)
(2E)-N-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}-3-(2-methoxyphenyl)acrylamide
C20H19N3O5 (381.13246440000006)
(15R)-13-(2,5-Difluorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
N-(4-acetylphenyl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanamide
C20H19N3O3S (381.11470640000005)
(15R)-13-(2,4-Difluorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
4-(1-Hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enamide
C21H19NO6 (381.12123140000006)
1-[[4-(4-Methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea
1-(3,4-Dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol hydrochloride
C20H28ClNO4 (381.1706758000001)
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
(1R,2aS,8bS)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(1S,2aS,8bS)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
(6S,7S,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
(1S,2aR,8bR)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(1R,2aR,8bR)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(6S,7S,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
(6R,7R,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
3-oxo-N-(4-phenylphenyl)-2,4-dihydro-1H-pyrido[1,2-a]benzimidazole-4-carboxamide
1-(2-Hydroxypropyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
C22H23NO5 (381.15761480000003)
(2E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
4-hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2H-chromen-2-one
C21H19NO6 (381.12123140000006)
Methyl 2-[(4,6-diphenylpyrimidin-2-yl)amino]benzoate
(9R,10R)-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-7,9-dihydropyrano[2,3-f]quinolin-8-one
C22H23NO5 (381.15761480000003)
(1R,3S,4S,6R,7S,11Z)-7-hydroxy-3,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2-oxirane]-3,8,17-trione
9-(beta-D-glucosyl)-cis-zeatin
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.
2-Methylthio-N-6-isopentenyladenosine
C16H23N5O4S (381.14706780000006)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
(R)-Pantothenic acid 4-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
kinanthraquinone
C21H19NO6 (381.12123140000006)
A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enamidyl, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593, and shows moderate cytotoxicity against HL-60 and NRK cells.
9-(beta-D-glucosyl)-trans-zeatin
An N-glycosylzeatin that is trans-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.
7-(beta-D-glucosyl)-cis-zeatin
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-7.
5'-O-TBDMS-dG
5'-O-TBDMS-dG is a modified nucleoside. 5'-O-DMT-2'-O-TBDMS-rI can be used in the synthesis of deoxyribonucleic acid or nucleic acid.
CEP dipeptide 1
CEP dipeptide 1 is a CEP dipeptide with potent angiogenic activity; mediators of age-related macular degeneration (AMD).
Ceranib-2
Ceranib-2 is a potent and nonlipid ceramidase inhibitor that inhibits cellular ceramidase activity with an IC50 of 28 μM in SKOV3 cells. Ceranib-2 induces the accumulation of multiple ceramide species, decreases levels of sphingosine and sphingosine-1-phosphate (S1P), and induces cell apoptosis. Anticancer activity[1][2].
ND-011992
ND-011992 is a reversible, selective quinazoline-type inhibitor targeting quinone reductases and quinol oxidases. ND-011992 inhibits respiratory complex I and bo3 oxidase in addition to bd-I and bd-II oxidases in E. coli strain BL21*Δcyo with the IC50 of 0.12, 2.47, 0.63 and 1.3 μM, respectively. ND-011992 can be used for tuberculosis study[1].
4-(methoxycarbonyl)-7-methyl-1h,2h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyridin-6-yl 1-methyl-2,7-naphthyridine-4-carboxylate
C21H23N3O4 (381.16884780000004)
2,7,8-trimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),2,4,6,8,14,16(20)-heptaen-10-one
C21H19NO6 (381.12123140000006)
2-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-3-[(2s,3as,5as,8s,9ar,9br)-8-chloro-3a,6,6,9a-tetramethyl-5-oxo-octahydronaphtho[2,1-b]furan-2-yl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
1,2-dihydroxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione
C21H23N3O4 (381.16884780000004)
(1s,12s,13r)-17,18-dimethoxy-21-methyl-20-methylidene-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-2,4(8),9,14(19),15,17-hexaen-12-ol
C22H23NO5 (381.15761480000003)
7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
2-[3-(2,3-dihydroxy-3-methylbutyl)indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-3-[(1s)-2-[(1s,4ar,6s,8ar)-6-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
(1s,3'r,4s,6s,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
(8's)-8'-chloro-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO5 (381.13429240000005)
(2r,3s,4r,5s,6r)-2-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-7-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
6,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,10,21-triol
C22H23NO5 (381.15761480000003)
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
C22H23NO5 (381.15761480000003)
{"Ingredient_id": "HBIN003941","Ingredient_name": "2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one","Alias": "NA","Ingredient_formula": "C22H23NO5","Ingredient_Smile": "NA","Ingredient_weight": "381.42","OB_score": "76.76796","CAS_id": "102421-42-1","SymMap_id": "SMIT06190","TCMID_id": "NA","TCMSP_id": "MOL004234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-oxocorynoline
C21H19NO6 (381.12123140000006)
{"Ingredient_id": "HBIN012735","Ingredient_name": "6-oxocorynoline","Alias": "NA","Ingredient_formula": "C21H19NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16292","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acutuminine
C19H24ClNO5 (381.13429240000005)
{"Ingredient_id": "HBIN014666","Ingredient_name": "acutuminine","Alias": "NA","Ingredient_formula": "C19H24ClNO5","Ingredient_Smile": "CN1CCC23C1(CC(C24CC(=CC4=O)OC)Cl)C(=C(C(=O)C3)OC)OC","Ingredient_weight": "381.85","OB_score": "39.28800714","CAS_id": "23512-32-5","SymMap_id": "SMIT13631","TCMID_id": "604","TCMSP_id": "MOL012909","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Ansam acrolid
C15H21N6O4S+ (381.13449260000004)
{"Ingredient_id": "HBIN016263","Ingredient_name": "Ansam acrolid","Alias": "NA","Ingredient_formula": "C15H21N6O4S+","Ingredient_Smile": "C[S+](CCC(C(=O)O)N)CC1=CC(C(O1)N2C=NC3=C2N=CN=C3N)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4z,6r,7s,11z)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),12,14-heptaene-8,11-dione
C21H19NO6 (381.12123140000006)
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2e)-2-methyl-4-(3h-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[2-methyl-4-(3h-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol
(10z)-10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO6 (381.12123140000006)
(10s)-10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
methyl (1s,9s,10s,11e,14s,15s)-11-ethylidene-17-hydroxy-18-oxa-8,13,16-triazahexacyclo[11.5.2.1¹⁰,¹⁴.0¹,¹⁵.0²,⁷.0⁸,¹⁵]henicosa-2,4,6,16-tetraene-9-carboxylate
C21H23N3O4 (381.16884780000004)
(1r,2s,12s,15s)-1,2-dihydroxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione
C21H23N3O4 (381.16884780000004)
[(4e,5e)-5-{[(2-hydroxyethyl)-c-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene](phenyl)acetic acid
C21H19NO6 (381.12123140000006)
3'-hydroxy-12',12'-dimethyl-1h-1',7'-diazaspiro[indole-2,11'-tricyclo[7.5.0.0³,⁷]tetradecan]-13'-ene-2',3,8'-trione
C21H23N3O4 (381.16884780000004)
(1r,2s,3s,9r)-5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione
C21H23N3O4 (381.16884780000004)
3-[2-(6-chloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0³,¹¹.0⁵,⁹.0¹⁷,²²]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione
C21H19NO6 (381.12123140000006)
(2s,3r,4r,5s,6s)-2-(hydroxymethyl)-6-{[(2z)-2-methyl-4-(3h-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol
4-benzyl-3-[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]-5-hydroxypyrrol-2-one
C22H23NO5 (381.15761480000003)
(1r,12s,13r)-12-hydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
C21H19NO6 (381.12123140000006)
(2s)-2-{[(3r)-3,4-dicarbamimidamido-1-hydroxybutylidene]amino}-3-(3,4-dihydroxyphenyl)propanoic acid
3,4,10,11-tetramethoxy-13-methyl-7,8-dihydro-6-azatetraphen-5-one
C22H23NO5 (381.15761480000003)
(1r,3'r,4r,6r,7r,11e)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
C21H19NO6 (381.12123140000006)
12-hydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
C21H19NO6 (381.12123140000006)
(2e,4e,6e)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8-(hydroxymethyl)deca-2,4,6-trien-1-one
C22H23NO5 (381.15761480000003)
2-[(1e,3e,5e)-3,5-dimethyl-6-(4-nitrophenyl)hexa-1,3,5-trien-1-yl]-6-methoxy-3,5-dimethylpyran-4-one
C22H23NO5 (381.15761480000003)
3-[2-(7-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
(2r,3r,4s,5s,6r)-2-[2-hydroxy-6-imino-3-(3-methylbut-2-en-1-yl)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-3-[(1s)-2-[(1s,4ar,6s,8ar)-6-chloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
8'-chloro-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO5 (381.13429240000005)
4-ethylidene-7-hydroxy-6-(hydroxymethyl)-7,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
(1r,3's,4s,6s,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
(2s)-1-(3-{3-carboxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O5 (381.13246440000006)
3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbuta-1,3-dien-1-yl)-3h-quinoline-2,4,5-triol
C22H23NO5 (381.15761480000003)
(1r,12r,13s)-12-hydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
C21H19NO6 (381.12123140000006)
(3r)-3-[(1s)-2-[(1s,4as,7s,8ar)-7-chloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
n-[6-(4-hydroxy-2,3-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
n-[6-(4-hydroxy-2,5-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
1,8,8a-trihydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
C21H23N3O4 (381.16884780000004)
10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
n-[6-(2-hydroxy-3,4-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
3-hydroxy-6-[2-(3-hydroxy-3-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
1-(3-{3-carboxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O5 (381.13246440000006)
(5-{[(2-hydroxyethyl)-c-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene)(phenyl)acetic acid
C21H19NO6 (381.12123140000006)
4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO6 (381.12123140000006)
(1r,2r,4s,5r,7r,11s,12s,15s,23r)-4-amino-11-hydroxy-18-methoxy-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17(22),18,20-trien-3-one
C21H23N3O4 (381.16884780000004)
(1r,4z,6r,7r,11z)-4-ethylidene-7-hydroxy-6-(hydroxymethyl)-7,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
(1r,3'r,4r,6r,7r)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
3-hydroxy-6-[2-(4-hydroxy-3-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione
C21H23N3O4 (381.16884780000004)
(10r)-10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
(1r,2r,4r,5r,7r,11s,12s,15s,23r)-4-amino-11-hydroxy-18-methoxy-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17(22),18,20-trien-3-one
C21H23N3O4 (381.16884780000004)
(4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1h,2h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyridin-6-yl 1-methyl-2,7-naphthyridine-4-carboxylate
C21H23N3O4 (381.16884780000004)
3-[2-(6-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
2-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
3-hydroxy-6-[2-(4-hydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
(2r,3'r,9's)-3'-hydroxy-12',12'-dimethyl-1h-1',7'-diazaspiro[indole-2,11'-tricyclo[7.5.0.0³,⁷]tetradecan]-13'-ene-2',3,8'-trione
C21H23N3O4 (381.16884780000004)
(1r)-18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0³,¹¹.0⁵,⁹.0¹⁷,²²]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione
C21H19NO6 (381.12123140000006)
[(4e)-5-{[(2-hydroxyethyl)-c-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene](phenyl)acetic acid
C21H19NO6 (381.12123140000006)
3-hydroxy-6-[2-(5-hydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
(3r,4r)-3-methoxy-4-(4-methoxyphenyl)-6-[(1e)-3-methylbuta-1,3-dien-1-yl]-3h-quinoline-2,4,5-triol
C22H23NO5 (381.15761480000003)
(1r,3'r,4r,6s,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
C21H19NO6 (381.12123140000006)
(2r,3r,4s,5s,6r)-2-{3-[(2r)-2,3-dihydroxy-3-methylbutyl]indol-1-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(3z)-1,8,8a-trihydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
C21H23N3O4 (381.16884780000004)
(3r)-3-[(1s)-2-[(1s,4as,7s,8ar)-7-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
4-(1-hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enimidic acid
C21H19NO6 (381.12123140000006)
16-methoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-17-yl acetate
C21H19NO6 (381.12123140000006)
(1r,3'r,6r)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
(20s,21s)-6,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,10,21-triol
C22H23NO5 (381.15761480000003)
(2s)-2-{[(3s)-3,4-dicarbamimidamido-1-hydroxybutylidene]amino}-3-(3,4-dihydroxyphenyl)propanoic acid
(2r,3r,4s,5s,6r)-2-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
(15s,17s)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-6,14-dioxa-4-azapentacyclo[10.6.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁷]nonadeca-1(19),3(7),4,8,10,12-hexaene-2,18-dione
C21H19NO6 (381.12123140000006)
n-[6-(2-hydroxy-4,5-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
9,17-dihydroxy-5,11,15,16,16-pentamethyl-6,14-dioxa-4-azapentacyclo[10.6.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁷]nonadeca-1(19),3(7),4,8,10,12-hexaene-2,18-dione
C21H19NO6 (381.12123140000006)
1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8-(hydroxymethyl)deca-2,4,6-trien-1-one
C22H23NO5 (381.15761480000003)
2-[(3,4-dicarbamimidamido-1-hydroxybutylidene)amino]-3-(3,4-dihydroxyphenyl)propanoic acid
(10e)-10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO6 (381.12123140000006)