Exact Mass: 381.17401259999997
Exact Mass Matches: 381.17401259999997
Found 500 metabolites which its exact mass value is equals to given mass value 381.17401259999997,
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
Tryprostatin A
C22H27N3O3 (381.20523120000007)
A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively.
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).
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.
Raphanatin
Raphanatin is found in root vegetables. Raphanatin is produced by Raphanus sativus (radish
Amoxicilloyl
C17H23N3O5S (381.13583480000005)
1-Cyclopropyl-3-(3-(5-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)urea
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
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
N-(((2,7-Dimethyl-9H-fluoren-9-yl)methoxy)carbonyl)-L-leucine
C23H27NO4 (381.19399820000007)
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.
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
D-Lysergyl-L-valin-methylester|Lysergyl-valin-methylester|N-(6-methyl-9,10-didehydro-ergoline-8-carbonyl)-valine methyl ester
C22H27N3O3 (381.20523120000007)
torrubiellone C
C22H23NO5 (381.15761480000003)
A natural product found in Torrubiella species.
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.
(9aR)-9a-Methyl-3-octanoyl-6-trans-propenyl-7H,9aH-furo[3,2-g]isochinolin-2,9-dion|(9aR)-9a-methyl-3-octanoyl-6-trans-propenyl-7H,9aH-furo[3,2-g]isoquinoline-2,9-dione|Monascorubramine
C23H27NO4 (381.19399820000007)
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
C20H31NO6_Glutamic acid, 1-[5-hydroxy-2,6-dimethyl-5-(1-methylethenyl)spiro[cyclopentane-1,3-[7]oxabicyclo[4.1.0]heptan]-2-yl] ester
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
4-amino-5-(5-hydroxy-2,6-dimethyl-5-prop-1-en-2-ylspiro[7-oxabicyclo[4.1.0]heptane-3,1-cyclopentane]-2-yl)oxy-5-oxopentanoic acid
cis-Zeatin-7-N-glucoside
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Raphanatin
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
(R)-Pantothenic acid 4'-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
cis-Zeatin 9-glucoside
Heptadeacsphing-6E-enine 4R-sufate
C17H35NO6S (381.21849700000007)
Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate
C20H28ClNO4 (381.1706758000001)
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)
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
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
Micinicate
C23H27NO4 (381.19399820000007)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
C20H22F3NO3 (381.15516980000007)
2-(1-benzhydryl-azetidin-3-yl)malonic acid diethyl ester
C23H27NO4 (381.19399820000007)
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)
1-Pyrrolidinecarboxylic acid, 2-[(carboxyMethoxy)Methyl]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
C22H23NO5 (381.15761480000003)
(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
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
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-propyl-N-(3-pyridinylmethyl)- (9CI)
C21H27N5S (381.19870620000006)
(R,E)-5-([1,1-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpent-2-enoic acid
C23H27NO4 (381.19399820000007)
tert-butyl 4-(2-(5H-imidazo[5,1-α]isoindol-5-yl)acetyl)piperidine-1-carboxylate
C22H27N3O3 (381.20523120000007)
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
Benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethylcarbamate
C22H28BNO4 (381.21112780000004)
4-(4-BENZYLPIPERAZINO)-1H-INDOLE DIHYDROCHLORIDE MONOHYDRATE
C19H25Cl2N3O (381.13745800000004)
Ganstigmine
C22H27N3O3 (381.20523120000007)
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D049990 - Membrane Transport Modulators
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-(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
(1S,2S,5S)2-(4-Glutaridylbenzyl)-5-phenyl-1-cyclohexanol
C23H27NO4 (381.19399820000007)
[Phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine
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
(3,4,8b-Trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl) N-(2-ethylphenyl)carbamate
C22H27N3O3 (381.20523120000007)
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
(3E)-3-[(2E,4E,6E)-1-hydroxy-6,8-dimethyldeca-2,4,6-trienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
C23H27NO4 (381.19399820000007)
2-[1-[[2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxopropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
C17H23N3O5S (381.13583480000005)
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)
6-Amino-4-(4-tert-butylphenyl)-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinecarbonitrile
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
C21H23N3O4 (381.16884780000004)
(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)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
C21H27N5S (381.19870620000006)
1-ethyl-N-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-5-benzimidazolamine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
C20H19N3O5 (381.13246440000006)
2-(2-Methoxyethyl)-9-methyl-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-pyrido[3,4-b]indolone
C22H27N3O3 (381.20523120000007)
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)
N3-(2,3-dimethylphenyl)-N1-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
C22H27N3O3 (381.20523120000007)
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)
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)
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]benzamide
C19H28FN3O4 (381.20637400000004)
N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-ethylacetamide
C22H27N3O3 (381.20523120000007)
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylpropanamide
C22H27N3O3 (381.20523120000007)
(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)
(2R,3R,3aS,9bS)-N,1-diethyl-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H27N3O3 (381.20523120000007)
(2R,3R)-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1-(5-pyrimidinylmethyl)-1,6-diazaspiro[3.3]heptane-6-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)
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]benzamide
C19H28FN3O4 (381.20637400000004)
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-ethylacetamide
C22H27N3O3 (381.20523120000007)
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-ethylacetamide
C22H27N3O3 (381.20523120000007)
N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-ethylacetamide
C22H27N3O3 (381.20523120000007)
(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)
(2S,3S,3aR,9bR)-N,1-diethyl-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H27N3O3 (381.20523120000007)
(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)
3-oxo-N-(4-phenylphenyl)-2,4-dihydro-1H-pyrido[1,2-a]benzimidazole-4-carboxamide
(3r,4r,6r)-n-Allyl-6-{[4-(3-hydroxyphenyl)-1h-1,2,3-triazol-1-yl]methyl}-n-methylquinuclidine-3-carboxamide
1-(2-Hydroxypropyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
C22H23NO5 (381.15761480000003)
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
2-[hydroxy-[(E)-3-hydroxy-2-(propanoylamino)oct-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[(E)-2-acetamido-3-hydroxynon-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
AT9283
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
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)
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].
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-{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)
3-hydroxy-4-[(7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methoxy]-3-isopropyl-4-oxobutan-2-yl 2-methylbut-2-enoate
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
4-[7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]-2-methoxyphenol
C23H27NO4 (381.19399820000007)
(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)
(4r,7r)-n-(1-methoxy-3-methyl-1-oxobutan-2-yl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
C22H27N3O3 (381.20523120000007)
(2s,3r)-4-{[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methoxy}-3-hydroxy-3-isopropyl-4-oxobutan-2-yl 3-methylbut-2-enoate
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"}
7-angeloylechinatine
{"Ingredient_id": "HBIN013051","Ingredient_name": "7-angeloylechinatine","Alias": "NA","Ingredient_formula": "C20H31NO6","Ingredient_Smile": "CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O","Ingredient_weight": "381.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37201","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91748013","DrugBank_id": "NA"}
7-angeloylrinderine
{"Ingredient_id": "HBIN013054","Ingredient_name": "7-angeloylrinderine","Alias": "NA","Ingredient_formula": "C20H31NO6","Ingredient_Smile": "CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O","Ingredient_weight": "381.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37199","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91747350","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)-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
(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
(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
(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
(2r,3r)-4-{[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methoxy}-3-hydroxy-3-isopropyl-4-oxobutan-2-yl (2e)-2-methylbut-2-enoate
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)
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)
8-{[(9h-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino}octanoic acid
C23H27NO4 (381.19399820000007)
(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)
(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)
(2s,3s)-4-{[(7r,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methoxy}-3-hydroxy-3-isopropyl-4-oxobutan-2-yl (2e)-2-methylbut-2-enoate
n-{1-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]-2-methylbutyl}-2-[(2-methylbut-3-en-2-yl)amino]butanimidic acid
C19H31N3O3S (381.20860160000007)
(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
(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)
(1r)-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
(1r)-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2e)-2-methylbut-2-enoate
(9ar)-9a-methyl-3-octanoyl-6-[(1e)-prop-1-en-1-yl]-7h-furo[3,2-g]isoquinoline-2,9-dione
C23H27NO4 (381.19399820000007)
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)
7-{[(2,3-dihydroxy-2-isopropylbutanoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 2-methylbut-2-enoate
(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)
4-[(8as)-7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]-2-methoxyphenol
C23H27NO4 (381.19399820000007)
(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)
4-ethylidene-12-hydroxy-6,7-dimethyl-3-oxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecan-7-yl acetate
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
(1r,7ar)-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
[(2r,3r,4s,6e)-2-amino-1,3-dihydroxyheptadec-6-en-4-yl]oxysulfonic acid
C17H35NO6S (381.21849700000007)
3-hydroxy-6-[2-(3-hydroxy-3-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
(1r,7ar)-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 2-methylbut-2-enoate
methyl (2s,3r,5r,10s)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.1⁵,¹⁹.0²,¹⁰.0³,⁸.0¹⁷,²⁰]henicosa-1(19),13(20),17-triene-18-carboxylate
C23H27NO4 (381.19399820000007)
1-(3-{3-carboxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O5 (381.13246440000006)
[(2s,3s,4r,6e)-2-amino-1,3-dihydroxyheptadec-6-en-4-yl]oxysulfonic acid
C17H35NO6S (381.21849700000007)
4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
(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,7ar)-7-({[(2r)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2e)-2-methylbut-2-enoate
(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)
(1s,7ar)-7-({[(2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
9a-methyl-3-octanoyl-6-(prop-1-en-1-yl)-7h-furo[3,2-g]isoquinoline-2,9-dione
C23H27NO4 (381.19399820000007)
(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)
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
(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)
1-hydroxy-3-{[6-methoxy-2-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
C22H27N3O3 (381.20523120000007)
(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)
7-{[(2,3-dihydroxy-2-isopropylbutanoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
(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
(1r,7ar)-7-({[(2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
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
(6r,8ar)-6-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,5,6-tetrahydro-1h-indolizin-8a-ol
C23H27NO4 (381.19399820000007)
