Exact Mass: 331.1055822
Exact Mass Matches: 331.1055822
Found 500 metabolites which its exact mass value is equals to given mass value 331.1055822,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ciprofloxacin
C17H18FN3O3 (331.13321300000007)
Ciprofloxacin is only found in individuals that have used or taken this drug. It is a broad-spectrum antimicrobial carboxyfluoroquinoline.The bactericidal action of ciprofloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, strand supercoiling repair, and recombination. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 276 KEIO_ID C133; [MS3] KO008906 KEIO_ID C133; [MS2] KO008905 KEIO_ID C133 Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4]. Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
2'-Deoxyadenosine 5'-phosphate
C10H14N5O6P (331.06816740000005)
Deoxyadenosine monophosphate (dAMP), also known as deoxyadenylic acid or deoxyadenylate in its conjugate acid and conjugate base forms, respectively, is a derivative of the common nucleic acid AMP, or adenosine monophosphate, in which the -OH (hydroxyl) group on the 2 carbon on the nucleotides pentose has been reduced to just a hydrogen atom (hence the "deoxy-" part of the name). Additionally, the monophosphate of the name indicates that two of the phosphoryl groups of GTP have been removed, most likely by hydrolysis. It is a monomer used in DNA. Adenosine is a nucleoside comprised of adenine attached to a ribose (ribofuranose) moiety via a -N9-glycosidic bond. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1]. 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1].
Piroxicam
Piroxicam is only found in individuals that have used or taken this drug. It is a cyclooxygenase inhibiting, non-steroidal anti-inflammatory agent (NSAID) that is well established in treating rheumatoid arthritis and osteoarthritis and used for musculoskeletal disorders, dysmenorrhea, and postoperative pain. Its long half-life enables it to be administered once daily. [PubChem]The antiinflammatory effect of Piroxicam may result from the reversible inhibition of cyclooxygenase, causing the peripheral inhibition of prostaglandin synthesis. The prostaglandins are produced by an enzyme called Cox-1. Piroxicam blocks the Cox-1 enzyme, resulting into the disruption of production of prostaglandins. Piroxicam also inhibits the migration of leukocytes into sites of inflammation and prevents the formation of thromboxane A2, an aggregating agent, by the platelets. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents KEIO_ID P068; [MS2] KO009199 D004791 - Enzyme Inhibitors KEIO_ID P068
Sekisanin
Nizatidine
Nizatidine is only found in individuals that have used or taken this drug. It is a histamine H2 receptor antagonist with low toxicity that inhibits gastric acid secretion. The drug is used for the treatment of duodenal ulcers. [PubChem]Nizatidine competes with histamine for binding at the H2-receptors on the gastric basolateral membrane of parietal cells. Competitive inhibition results in reduction of basal and nocturnal gastric acid secretions. The drug also decreases the gastric acid response to stimuli such as food, caffeine, insulin, betazole, or pentagastrin. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Nizatidine is a potent and orally active histamine H2 receptor antagonist, can be used for the research of stomach?and?intestines ulcers. Nizatidine works by decreasing the secretion of gastric?acid the stomach makes and prevent ulcers from coming back after they have healed in animal models[1].
Pretazettine
Pretazettine, also known as pretazettine hydrochloride, (6abeta,8beta)-isomer, is a member of the class of compounds known as tazettine-type amaryllidaceae alkaloids. Tazettine-type amaryllidaceae alkaloids are amaryllidaceae alkaloids derived from the haemanthamine-type alkaloids, which are characterized as a linkage between C6 and C11 by an oxygen atom to form a [3,4-g]benzopyran framework. Pretazettine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pretazettine can be found in lovage, which makes pretazettine a potential biomarker for the consumption of this food product.
Pitolisant hydrochloride
C78272 - Agent Affecting Nervous System Pitolisant hydrochloride is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).
zotepine
C18H18ClNOS (331.07975680000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Zotepine, an antipsychotic agent, is a potent antagonist of 5-HT2A, 5-HT2C, Histamine H1, α1-adrenergic and Dopamine D2 receptors, with Kds of 2.6 nM, 3.2 nM, 3.3 nM, 7.3 nM and 8 nM, respectively. Zotepine exhibits antidepressive and anxiolytic effects in vivo[1][2].
Citbrasine
Citbrasine is found in citrus. Citbrasine is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange). Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citbrasine is found in citrus.
R-95913
C18H18FNO2S (331.10422200000005)
R-95913 is only found in individuals that have used or taken Prasugrel. R-95913 is a metabolite of Prasugrel. R-95913 belongs to the family of Thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.
5'-O-Desmethyl omeprazole
C16H17N3O3S (331.09905720000006)
5-O-Desmethyl omeprazole is only found in individuals that have used or taken Omeprazole. 5-O-Desmethyl omeprazole is a metabolite of Omeprazole. 5-o-desmethyl omeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
N'-Hydroxyneosaxitoxin
N-Hydroxyneosaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
(2R,3R,4S,5S,6R)-6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
2'-Deoxyadenosine 3'-monophosphate
C10H14N5O6P (331.06816740000005)
5'-O-beta-D-Glucosylpyridoxine
7-Chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine
(R)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamide
C16H17N3O3S (331.09905720000006)
Benzoic acid 2-(acetyloxy)-3-[(nitrooxy)methyl]phenyl ester
(E)-2-(3-(Naphthalen-2-yl)but-2-enamido)benzoic acid
Cercosporamide
Chlorprothixene sulfoxide
C18H18ClNOS (331.07975680000004)
Didesethylflurazepam
(2S,3S)-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
C13H15F2N3O3S (331.08021440000005)
Nitroaspirin
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-acetylhydrazide
C16H14ClN3O3 (331.07236439999997)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole
N'-Acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
C16H14ClN3O3 (331.07236439999997)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
2-Methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide
4H-1,2,4-Triazole, 3-(trans-1-(4-chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-
Axid Ar
zotepine
C18H18ClNOS (331.07975680000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Zotepine, an antipsychotic agent, is a potent antagonist of 5-HT2A, 5-HT2C, Histamine H1, α1-adrenergic and Dopamine D2 receptors, with Kds of 2.6 nM, 3.2 nM, 3.3 nM, 7.3 nM and 8 nM, respectively. Zotepine exhibits antidepressive and anxiolytic effects in vivo[1][2].
4-hydroxy-2-nonenal-[Cys-Gly] conjugate
4-hydroxy-2-nonenal-[cys-gly] conjugate is a member of the class of compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-hydroxy-2-nonenal-[cys-gly] conjugate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxy-2-nonenal-[cys-gly] conjugate can be found in a number of food items such as persian lime, silver linden, black raspberry, and nutmeg, which makes 4-hydroxy-2-nonenal-[cys-gly] conjugate a potential biomarker for the consumption of these food products.
N1-(3-Methoxyphenyl)-2-cyano-3-(4-methylpiperidino)-3-oxopropanethioamide
C17H21N3O2S (331.13544060000004)
O1-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanehydroximamide
Tributyltin chloride; Tri-n-butylchlorotin; Tributylchlorostannane
Zinolol
A monosaccharide derivative that is 1,4-dihydroxybenzene substituted by a (methylamino)methyl group at position 6 and a beta-D-glucopyranosyloxy residue at position 2. Isolated from Anagallis monelli, it exhibits antimutagenic and antioxidant activities.
(1R,2S,4aR,10bR)-10b-hydroxyhippeastrine|pancratinine A
Haploperine;Haploperin; Haplophytin B; Haplophytine B; NSC 94653
5alpha,11-dihydroxy-9,10-methanediyldioxy-1-methyl-lycoran-4(12)-en-7-one|Nor-Neronin|norneronine|O-demethyl-neronine
Cercosporamide
Cercosporamide is a member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. It has a role as an antifungal agent, a phytotoxin, a fungal metabolite and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of dibenzofurans, a polyphenol, a monocarboxylic acid amide and a methyl ketone. Cercosporamide is a natural product found in Clarohilum henningsii and Phoma with data available. Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952) A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.
1,6-dihydroxy-2,3,5-trimethoxy-10-methyl-9-acridone|1,6-Dihydroxy-2,3,5-trimethoxy-10-methylacridone
(R)-2-(2-Amino-O6-phosphono-2-desoxy-D-glucose-3-yloxy)-propionsaeure|2-Amino-O3-((R)-1-carboxy-aethyl)-O6-phosphono-2-desoxy-D-glucose|2-amino-O3-((R)-1-carboxy-ethyl)-O6-phosphono-2-deoxy-D-glucose|Muramsaeure-6-phosphat|O6-Phosphono-muramsaeure
6-methoxy-7-(2-methoxy-3-methyl-but-3-enyl)-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|Me ether -Ptelefolidine|O-methyl-ptelefolidine|Ptelefolidinmethylether
4,8-dimethoxy-5-methyl-7-(3-methyl-but-2-enyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one|Ptelecortin|Ptelecortine
13-Methyl-2-methoxy-7,8-dihydroindolo[2,3:3,4]pyrido[2,1-b]quinazoline-5(13H)-one
1-(4,8-dimethoxy-furo[2,3-b]quinolin-7-yloxy)-3-methyl-butan-2-ol|dihydro-evodine|dihydro-evoxoidine|Dihydroevoxoidin|evodine
10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine
n-aminooxymethylcarbonylhydrazino-d-biotin
C12H21N5O4S (331.1314186000001)
MY-5445
C20H14ClN3 (331.08761940000005)
MY-5445 is a specific inhibitor of the cyclic GMP phosphodiesterase, phosphodiesterase type 5 (PDE5), with a Ki of 1.3 μM. MY-5445 inhibits human platelet aggregation. MY-5445 is a selective modulator of ATP-binding cassette (ABC) transporter ABCG2, with anti-proliferative effect[1][2].
ciprofloxacin
C17H18FN3O3 (331.13321300000007)
A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1026 Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4]. Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
Deoxyadenosine monophosphate
C10H14N5O6P (331.06816740000005)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1]. 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1].
piroxicam
A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid 1,1-dioxide with the exocyclic nitrogen of 2-aminopyridine. A non-steroidal anti-inflammatory drug of the oxicam class, it is used to relieve pain and works by preventing the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
C18H21NO5_Tazettine
Nizatidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
2-Deoxyadenosine 5-monophosphate
C10H14N5O6P (331.06816740000005)
A purine 2-deoxyribonucleoside 5-monophosphate having adenine as the nucleobase.
Tazettine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
Ala Ala Gly Asn
C12H21N5O6 (331.14917660000003)
Ala Ala Asn Gly
C12H21N5O6 (331.14917660000003)
Ala Gly Ala Asn
C12H21N5O6 (331.14917660000003)
Ala Gly Gly Gln
C12H21N5O6 (331.14917660000003)
Ala Gly Asn Ala
C12H21N5O6 (331.14917660000003)
Ala Gly Gln Gly
C12H21N5O6 (331.14917660000003)
Ala Asn Ala Gly
C12H21N5O6 (331.14917660000003)
Ala Asn Gly Ala
C12H21N5O6 (331.14917660000003)
Ala Gln Gly Gly
C12H21N5O6 (331.14917660000003)
Gly Ala Ala Asn
C12H21N5O6 (331.14917660000003)
Gly Ala Gly Gln
C12H21N5O6 (331.14917660000003)
Gly Ala Asn Ala
C12H21N5O6 (331.14917660000003)
Gly Ala Gln Gly
C12H21N5O6 (331.14917660000003)
Gly Gly Ala Gln
C12H21N5O6 (331.14917660000003)
Gly Gly Gln Ala
C12H21N5O6 (331.14917660000003)
Gly Asn Ala Ala
C12H21N5O6 (331.14917660000003)
Gly Gln Ala Gly
C12H21N5O6 (331.14917660000003)
Gly Gln Gly Ala
C12H21N5O6 (331.14917660000003)
Asn Ala Ala Gly
C12H21N5O6 (331.14917660000003)
Asn Ala Gly Ala
C12H21N5O6 (331.14917660000003)
Asn Gly Ala Ala
C12H21N5O6 (331.14917660000003)
Gln Ala Gly Gly
C12H21N5O6 (331.14917660000003)
Gln Gly Ala Gly
C12H21N5O6 (331.14917660000003)
Gln Gly Gly Ala
C12H21N5O6 (331.14917660000003)
SC-19220
C16H14ClN3O3 (331.07236439999997)
Aldehyde Reactive Probe
C12H21N5O4S (331.1314186000001)
R-95913
C18H18FNO2S (331.10422200000005)
5-O-Desmethyl omeprazole
C16H17N3O3S (331.09905720000006)
malvidin
An anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3 and 5.
2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine
C18H21NO3S (331.12420760000003)
N-benzyl-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid
7-chloro-4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-c][1]benzazepine
C17H18ClN3S (331.09098980000005)
Flazalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-chlorophenyl-2-acetamido-2-deoxy-beta-d-glucopyranoside
Dibenzepin hydrochloride
C18H22ClN3O (331.14513120000004)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-1,3-dihydro-2H-indole-2-one
C17H17NO4S (331.08782420000006)
N-Benzoyl-L-argininamide hydrochloride monohydrate
C13H22ClN5O3 (331.14110919999996)
(R)-1-Benzyl-3-[(p-tolylsulfonyl)oxy]pyrrolidine
C18H21NO3S (331.12420760000003)
7-Methoxycoumarin-4-acetic acid N-succinimidyl ester
4-(ISOCYANO(TOSYL)METHYL)-1,2-DIMETHOXYBENZENE
C17H17NO4S (331.08782420000006)
7-Hydroxy-4-methylcoumarin-3-acetic acid, succinimidyl ester
Dothiepin HCl
C19H22ClNS (331.1161402000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
L-Phenylalanine,N-(2,4-dinitrophenyl)-
C15H13N3O6 (331.08043180000004)
2-AMINO-BENZOIC ACID 2-BIPHENYL-4-YL-2-OXO-ETHYL ESTER
2-(2-METHOXY-PHENYL)-6-(4-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
2-(3-METHOXY-PHENYL)-6-(4-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
SB 202190
D004791 - Enzyme Inhibitors
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
C18H18FNO2S (331.10422200000005)
2-(TETRAHYDRO-FURAN-2-YL)-N-(3-TRIFLUOROMETHYL-PHENYL)-SUCCINAMIC ACID
C15H16F3NO4 (331.10313720000005)
2-(2-FLUOROACETAMIDO)-5-NITRO-N-(O-TOLYL)BENZAMIDE
C16H14FN3O4 (331.09682960000004)
Protokylol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate
[4-(4-chloro-phenyl)-piperazin-1-yl]-pyridin-3-yl-acetic acid
3-(4-CHLORO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
C18H18FNO2S (331.10422200000005)
TERT-BUTYL(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE
C16H20F3NO3 (331.1395206000001)
1-amino-4-hydroxy-2-phenoxyanthraquinone
C20H13NO4 (331.08445380000006)
4-chloro-7-methoxy-5-[(1-methyl-4-piperidyl)oxy]quinoline-3-carbo nitrile
(S)-1-Benzyl-3-[(p-tolylsulfonyl)oxy]pyrrolidine
C18H21NO3S (331.12420760000003)
PROPIONYLCHOLINE P-TOLUENESULFONATE
C15H25NO5S (331.14533600000004)
norfluoxetine hydrochloride
C16H17ClF3NO (331.09506980000003)
Norfluoxetine hydrochloride is an active N-demethylated metabolite of Fluoxetine. Fluoxetine is a selective serotonin (5-HT) reuptake inhibitor that is metabolized to Norfluoxetine hydrochloride by cytochrome P450 (CYP) 2D6, CYP2C19, and CYP3A4. Norfluoxetine hydrochloride inhibits 5-HT uptake and inhibits CaV3.3 T current (IC50 = 5 μM). Norfluoxetine hydrochloride has anticonvulsant activity[1][2][3][4].
1-Benzyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
C19H13N3O3 (331.09568680000007)
Methyl 2-(2-(methoxycarbonyl)phenoxy)-5-nitrobenzoate
tert-butyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
(1.ALPHA.,3A.ALPHA.,6A.ALPHA.)-HEXAHYDRO-4-OXO-CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID-1-ETHYL2-(PHENYLMETHYL) ESTER
tert-butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate
1-Benzhydryl-3-methanesulfonyloxy-3-methylazetidine
C18H21NO3S (331.12420760000003)
azanium,1,2-bis(ethenyl)benzene,2-ethenylbenzenesulfonate
C18H21NO3S (331.12420760000003)
dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4-Nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine
1-ethenyl-3-methylimidazol-3-ium,1-ethenylpyrrolidin-2-one,methyl sulfate
N-cyclopentyl-2-methyl-5-(4-methylsulfonylphenyl)pyrimidin-4-amine
C17H21N3O2S (331.13544060000004)
(+-)-Benzyloxycarbonyl-alpha-phosphonoglycinetrimethylester
(2Z)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-[(4S)-4-phenyl-1,3-oxazolidin-2-ylidene]acetonitrile
2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT
C17H17NO4S (331.08782420000006)
4-{5-[(2-Chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoic acid hydrochloride (1:1)
S-BENZYL-L-CYSTEINE-4-NITROANILINE
C16H17N3O3S (331.09905720000006)
(Z)-N-[(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-L-valine
(R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine
[4-(4-chloro-phenyl)-piperazin-1-yl]-pyridin-4-yl-acetic acid
(R)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE HYDROCHLORIDE
C16H17ClF3NO (331.09506980000003)
diethyl 2-[[4-(trifluoromethyl)anilino]methylidene]propanedioate
C15H16F3NO4 (331.10313720000005)
Aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-YL)amino]ethanol
2-Chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid
(S)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamide
C16H17N3O3S (331.09905720000006)
2-Methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide
Glypinamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide
C17H21N3O2S (331.13544060000004)
Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
C16H17N3O3S (331.09905720000006)
4-amino-6,7-diphenyl-2(1H)-pteridinethione
C18H13N5S (331.08916180000006)
(E)-3-(3-(N-(2-hydroxyethyl)sulfamoyl)-4,5-dimethoxyphenyl)acrylic acid
C13H17NO7S (331.07256920000003)
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
C20H17N3S (331.11431220000003)
3-phenyl-4-[[4-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one
3,6-Diamino-9-(2-carboxyphenyl)xanthenium
C20H15N2O3+ (331.10826199999997)
2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
C17H17NO4S (331.08782420000006)
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate
C16H15N2O4S- (331.07524900000004)
5'-O-beta-D-Glucosylpyridoxine
(2S,3S)-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
C13H15F2N3O3S (331.08021440000005)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
C17H18FN3O3 (331.13321300000007)
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Sulochrin(1-)
A phenolate anion that is the conjugate base of sulochrin, obtained by deprotonation of one of the phenolic hydroxy groups; major species at pH 7.3.
4-{[(2R,3R,4S,5R)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]carbamoyl}-2-oxobutanoate
6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
Sekisanolin
Prothiaden
C19H22ClNS (331.1161402000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Acetic acid [2-[[(6,6-dimethoxy-3-oxo-1-cyclohexa-1,4-dienyl)amino]-oxomethyl]phenyl] ester
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-pyridinecarboxamide
(15R)-9,15-Dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
5-[(1,3-Benzodioxol-5-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
2-[1-[2-(1-Benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid
C18H21NO3S (331.12420760000003)
10-Piperidin-1-yl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]quinazolin-4(1H)-one
N-{2-[(4-methylphenyl)carbamoyl]phenyl}pyridine-3-carboxamide
1-[4-(4-Ethoxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
C17H21N3O2S (331.13544060000004)
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-azepin-7-one
N-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]-2-furancarboxamide
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester
C17H21N3O2S (331.13544060000004)
5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide
6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
C20H17N3S (331.11431220000003)
1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
C19H22ClNO2 (331.13389820000003)
[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
C10H14N5O6P (331.06816740000005)
N-{4-[N-(phenylsulfonyl)ethanehydrazonoyl]phenyl}acetamide
C16H17N3O3S (331.09905720000006)
2-Ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester
C16H14ClN3O3 (331.07236439999997)
5-[(3-Methylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole
5-[[2-Methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
N-(3-bicyclo[2.2.1]heptanyl)-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide
4-[5-(3-Hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-furanyl]benzonitrile
C19H13N3O3 (331.09568680000007)
2-[(2Z)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide
2-[[(4-Tert-butylphenyl)-oxomethyl]amino]-4-chlorobenzoic acid
7-ethoxy-3-(2-methoxyethyl)-N-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
C17H21N3O2S (331.13544060000004)
1-(4-Chlorophenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol
C19H22ClNO2 (331.13389820000003)
(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
C18H18ClNOS (331.07975680000004)
6-{Hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid
1-[[4-[(E)-hydroxyiminomethyl]-2-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester
C18H21NO3S (331.12420760000003)
4-[(5Z)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
C17H17NO4S (331.08782420000006)
(3Z)-3-[(10S)-2-chloro-10-oxothioxanthen-9-ylidene]-N,N-dimethylpropan-1-amine
C18H18ClNOS (331.07975680000004)
2,5-Dihydroxy-4-(2-hydroxyphenyl)-5-(methylamino)-3-phenylpentanoic acid
(9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-1-ol
C18H18ClNOS (331.07975680000004)
3,4-Bis(methoxycarbonyl)-2-trimethylsilyl-5-phenylpyrrole
1-(Chloromethyl(para-tolyl)silyl)-2-(methyl(para-tolyl)silyl)ethane
Nitroaspirin
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Didesethylflurazepam
A primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. It is the major metabolite of flurazepam.
N-Acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
C16H14ClN3O3 (331.07236439999997)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
1-cyclopropyl-2-(2-fluorophenyl)-2-{2-hydroxy-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
C18H18FNO2S (331.10422200000005)
GAC0001E5
GAC0001E5 is an LXR inverse agonist. GAC0001E5 has antiproliferative activity and can be used in cancer research[1].
Sirtuin-1 inhibitor 1
Sirtuin-1 inhibitor 1 (Compound 8) is an inhibitor of Sirtuin-1 that plays important roles in obesity-induced diabetes and aging-related diseases[1].
SW157765
C19H13N3O3 (331.09568680000007)
SW157765 is a selective non-canonical glucose transporter GLUT8 (SLC2A8) inhibitor. KRAS/KEAP1 double mutant NSCLC cells are selectively sensitive to the SW157765, due to the convergent consequences of dual KRAS and NRF2 modulation of metabolic and xenobiotic gene regulatory programs[1][2].
(1s,13s,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
2,6-dimethyl-8-(1,4,6-trihydroxy-3h-isoindol-5-yl)octa-2,6-dienoic acid
(2z,4z)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(3as)-6-hydroxy-1-(1h-indol-3-yl)-3ah,4h-naphtho[2,1-b]furan-2,5-dione
C20H13NO4 (331.08445380000006)
(1s,13s,15r,19r)-19-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-yl acetate
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,10,12-tetraen-2-one
(11s,12s,15s)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
5-hydroxy-4,11-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
1-chloro-n-[(1e,6r,10r)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid
(1s,11s,13s,15s,18s)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(1r,13r,15r,18s)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
1,6-dihydroxy-2,3,5-trimethoxy-10-methylacridin-9-one
11-hydroxycephalotaxine
{"Ingredient_id": "HBIN000440","Ingredient_name": "11-hydroxycephalotaxine","Alias": "NA","Ingredient_formula": "C18H21NO5","Ingredient_Smile": "COC1=CC23CCCN2CC(C4=CC5=C(C=C4C3C1O)OCO5)O","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9900","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "285343","DrugBank_id": "NA"}
(1s,11r,12r,13s,15r)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
(2s,3s,6s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-2,3-diol
1,3-dihydroxy-2,5,6-trimethoxy-10-methylacridin-9-one
(1r)-12-acetyl-3,5,11-trihydroxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboximidic acid
(2r)-3-methyl-1-{4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaen-8-yloxy}butane-2,3-diol
(1s,13r,15r)-19-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-yl acetate
1-chloro-n-[(1e)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
(1s,14s,15s,16s)-5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
5,14-dihydroxy-4-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
(2z,6s)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
11-hydroxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
6-methoxy-7-(2-methoxy-3-methylbut-3-en-1-yl)-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
(2s,3s,6s)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
(9s)-7,9-dimethoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
(1r,11s,12s,13r,15s)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
(2s,3s,6r,12r)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
19-[(1s)-1-hydroxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1s,10s,11s,17s)-11-hydroxy-4,5-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
(1r,11s,13r,15r,18r)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
7-methoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
4-[(6-hydroxyphenazin-1-yl)amino]benzoic acid
C19H13N3O3 (331.09568680000007)
2-{2,5-dihydroxy-3-[(methylamino)methyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6s)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
(1r,15r,18r,19r)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraene-15,18-diol
(2e,6e)-2,6-dimethyl-8-(1,4,6-trihydroxy-3h-isoindol-5-yl)octa-2,6-dienoic acid
(5r,8r,9s)-2-benzyl-8-[(2s)-butan-2-yl]-6,8,9-trihydroxy-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
(12s,13r,18s)-8,12-dihydroxy-4,15-dimethyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9-tetraene-6,14-dione
1-chloro-n-(6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl)methanecarbonimidoyl chloride
(1s,11r,13s,15r,18s)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-ol
4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraene-2,3-diol
(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-n-(3-methoxy-2,2-dimethyl-3-oxopropyl)penta-2,4-dienimidic acid
n-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-methoxybenzenecarboximidic acid
(1r,13r,16s,18r)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
(2s,3s,6r,10s)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
7-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dimethylpurine-2,6-dione
C14H13N5O5 (331.09166480000005)
11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
12-acetyl-3,5,11-trihydroxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboximidic acid
6-methoxy-7-[(2s)-2-methoxy-3-methylbut-3-en-1-yl]-9-methyl-2h-[1,3]dioxolo[4,5-h]quinolin-8-one
methyl 3-[5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienamido]-2,2-dimethylpropanoate
(1r,13r,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-16-ol
(2r)-1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutan-2-ol
1-{7-bromo-9h-pyrido[3,4-b]indol-1-yl}-3-methylbutan-1-amine
7,9-dimethoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
3-methoxy-4,4'-dimethyl-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5,11'-trione
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2(10),3,8,16-tetraen-11-ol
(2s,3s,6s,10s)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),4,13,15(19)-tetraen-10-ium-10-olate
(1s,13r,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1r,8s,10s,11r)-3,11-dihydroxy-4-methoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-12-one
(1r,13r,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
8,12-dihydroxy-4,15-dimethyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9-tetraene-6,14-dione
(1s,13s,16s,18r)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
18,20-dioxa-3,13,24-triazahexacyclo[11.11.0.0²,¹⁰.0⁴,⁹.0¹⁵,²³.0¹⁷,²¹]tetracosa-1(24),2(10),4,6,8,15,17(21),22-octaen-14-one
C19H13N3O3 (331.09568680000007)
(2s,4s,5s)-5-chloro-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2,4-dimethylhexan-1-one
5,9,9,17-tetramethyl-4,8,17-triazapentacyclo[10.6.1.0²,¹⁰.0³,⁸.0¹⁶,¹⁹]nonadeca-1,3,5,10,12,14,16(19)-heptaene-7,18-dione
(2e,4z)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(1r,13s,15r,18r)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
1-[5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienamido]-2-methylpropan-2-yl acetate
1-chloro-n-[(1e,6s,10r)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
6-hydroxy-5,10-dimethyl-5,10,19-triazapentacyclo[10.7.1.0²,⁷.0⁹,²⁰.0¹³,¹⁸]icosa-1,3,6,9(20),12,14,16,18-octaene-8,11-dione
C19H13N3O3 (331.09568680000007)
(1s,11s,13r,16s,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-ol
1,6-dihydroxy-3,4,5-trimethoxy-10-methylacridin-9-one
(1r,13r,15s,18s)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(1s,13r,16s,17s)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-16-yl acetate
2-benzyl-6,8,9-trihydroxy-8-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline
C19H22ClNO2 (331.13389820000003)
18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-16-ol
(2s,3s,9s,10s,12s)-12-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-9-ol
(1s,10s,11s,17s)-5-hydroxy-4,11-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
(2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid
(1s,14s,15s,16s)-4,14-dihydroxy-5-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,12-tetraen-15-yl acetate
(1's,2r)-3-methoxy-4,4'-dimethyl-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5,11'-trione
13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
(7s,8s)-11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,10,12-tetraen-2-one
9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.0¹,¹³.0²,¹⁰.0⁴,⁸.0¹⁶,¹⁸]icosa-2,4(8),9-triene
(1s,13r,16s,17r)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-16-yl acetate
2-{[2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid
6-hydroxy-1-(1h-indol-3-yl)-3ah,4h-naphtho[2,1-b]furan-2,5-dione
C20H13NO4 (331.08445380000006)