Exact Mass: 381.1222
Exact Mass Matches: 381.1222
Found 432 metabolites which its exact mass value is equals to given mass value 381.1222,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metsulfuron-methyl
CONFIDENCE standard compound; EAWAG_UCHEM_ID 128
Benthiavalicarb isopropyl
D016573 - Agrochemicals D010575 - Pesticides
Celecoxib
Celecoxib (INN) is a non-steroidal anti-inflammatory drug (NSAID) used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer under the brand name Celebrex. In some countries, it is branded Celebra. Celecoxib is a non-steroidal anti-inflammatory drug (NSAID) used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. Celecoxib is a highly selective COX-2 inhibitor and primarily inhibits this isoform of cyclooxygenase, whereas traditional NSAIDs inhibit both COX-1 and COX-2. Celecoxib is approximately 10-20 times more selective for COX-2 inhibition over COX-1. In theory, this specificity allows celecoxib and other COX-2 inhibitors to reduce inflammation (and pain) while minimizing gastrointestinal adverse drug reactions (e.g. stomach ulcers) that are common with non-selective NSAIDs. It also means that it has a reduced effect on platelet aggregation compared to traditional NSAIDs; Celecoxib is a highly selective COX-2 inhibitor and primarily inhibits this isoform of cyclooxygenase, whereas traditional NSAIDs inhibit both COX-1 and COX-2. Celecoxib is approximately 10-20 times more selective for COX-2 inhibition over COX-1. In theory, this specificity allows celecoxib and other COX-2 inhibitors to reduce inflammation (and pain) while minimizing gastrointestinal adverse drug reactions (e.g. stomach ulcers) that are common with non-selective NSAIDs. It also means that it has a reduced effect on platelet aggregation compared to traditional NSAIDs. Celecoxib (INN) is a non-steroidal anti-inflammatory drug (NSAID) used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer under the brand name Celebrex. In some countries, it is branded Celebra.; Celecoxib is a non-steroidal anti-inflammatory drug (NSAID) used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4913; ORIGINAL_PRECURSOR_SCAN_NO 4912 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4904; ORIGINAL_PRECURSOR_SCAN_NO 4902 INTERNAL_ID 454; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4913; ORIGINAL_PRECURSOR_SCAN_NO 4912 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4877; ORIGINAL_PRECURSOR_SCAN_NO 4875 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4898; ORIGINAL_PRECURSOR_SCAN_NO 4896 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4899; ORIGINAL_PRECURSOR_SCAN_NO 4897 M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 8516 CONFIDENCE standard compound; INTERNAL_ID 2356 D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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.
4-Hydroxy-6-methylpretetramide
A member of the class of pretetramides that is 6-methyltetracene-2-carboxamide carrying six hydroxy substituents at positions 1, 3, 4, 10, 11 and 12.
8-desmethylnovobiocic acid
A hydroxycoumarin that is novobiocic acid lacking the 8-methyl group.
cis-Zeatin O-glucoside
cis-Zeatin O-glucoside, also known as O-beta-D-glucosylzeatin, belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol, a phosphorylated alcohol (phosphoprenol), or a hydroxy fatty acid, or to one carboxyl group of a fatty acid (ester linkage) or an amino alcohol. cis-Zeatin O-glucoside is a very strong basic compound (based on its pKa). cis-Zeatin O-glucoside is an intermediate in zeatin biosynthesis. It is generated from cis-zeatin via the enzyme cis-zeatin O-beta-D-glucosyltransferase (EC 2.4.1.215).
Rabeprazole sodium
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
cis-Zeatin-9-N-glucoside
Cis-zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase.Glucosylation of cytokinins is a well recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. [HMDB] cis-Zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase. Glucosylation of cytokinins is a well-recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation.
(R)-Pantothenic acid 4'-O-b-D-glucoside
(R)-Pantothenic acid 4-O-b-D-glucoside is found in garden tomato. (R)-Pantothenic acid 4-O-b-D-glucoside is isolated from tomato juice. Isolated from tomato juice. (R)-Pantothenic acid 4-O-b-D-glucoside is found in garden tomato.
Oxopurpureine
Oxopurpureine is found in beverages. Oxopurpureine is an alkaloid from the stems and leaves of Annona purpurea (soncoya). Alkaloid from the stems and leaves of Annona purpurea (soncoya). Oxopurpureine is found in beverages and fruits.
N-Acetyl-9-O-lactoylneuraminic acid
N-Acetyl-9-O-lactoylneuraminic acid is a sialic acid produced by sialate 9-O-lactoyltransferases. Lactoylation of CMP-N-acetylneuraminic acid, N-acetylneuramimic acid and glycoconjugate-bound N-acetylneuramimic acid has been observed, with the glycoconjugate form being the best substrate. A sialic acid produced by sialate 9-O-lactoyltransferases. Lactoylation of CMP-N-acetylneuraminic acid, N-acetylneuramimic acid and glycoconjugate-bound N-acetylneuramimic acid has been observed, with the glycoconjugate form being the best substrate. [HMDB]
Raphanatin
Raphanatin is found in root vegetables. Raphanatin is produced by Raphanus sativus (radish
Amoxicilloyl
4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4H-1,2,4-triazol-3-yl)-
2-Hydroxy-4-carboxybutyrylhistidylprolinamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Fendosal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Lavendustin A
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
Netoglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Netoglitazone is a dual agonist of PPARα and PPARγ with antihyperglycemic activity[1].
(5Z)-5-[[4-[(1-Pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Pleconaril
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
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C26170 - Protective Agent > C1509 - Neuroprotective Agent N - Nervous system
5-[[6-[(2-Fluorophenyl)methoxy]naphthalen-2-yl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
2-Methylthio-N6-(delta2-isopentenyl)adenosine
2-methylthio-n6-(delta2-isopentenyl)adenosine, also known as n(6)-(delta(2)-isopentenyl)-2-methylthioadenosine or 2-mtia, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 2-methylthio-n6-(delta2-isopentenyl)adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylthio-n6-(delta2-isopentenyl)adenosine can be found in cauliflower, which makes 2-methylthio-n6-(delta2-isopentenyl)adenosine a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
(E)-Zeatin glucoside
(e)-zeatin glucoside is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol (e)-zeatin glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-zeatin glucoside can be found in soy bean, which makes (e)-zeatin glucoside a potential biomarker for the consumption of this food product.
Arnottianamide
2,3,9,10-Tetramethoxy-13-methyl-5,6-dihydro-8H-dibenzo[a,g]quinolizine-8-one
Lavendustin A
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
(+/-)-pictonamine|13-deoxy-chilenine methyl enol ether|9,10,13-trimethoxy-5,6-dihydro-[1,3]dioxolo[4,5:4,5]benzo[1,2:4,5]azepino[2,1-a]isoindol-8-one|Pictonamine
13-methoxy-8-oxyberberine|13-methoxy-oxoberberine|13-Methoxyberberin|13-methoxyberberine|13-Methoxyoxoberberine|9,10,13-trimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-8-one
3alpha,7beta-dibenzoyloxy-6beta-hydroxy-tropane|alaternifoline
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)pentanedioic acid
benthiavalicarb-isopropyl
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
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.273
celecoxib
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Production by Hericium ramosum. Antibiotic CJ 14258 is found in mushrooms.
4-Hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-chromen-2-one
azelastine
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D018926 - Anti-Allergic Agents
cis-Zeatin-7-N-glucoside
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Raphanatin
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
OXOPURPUREINE
(R)-Pantothenic acid 4'-O-b-D-glucoside
cis-Zeatin 9-glucoside
Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] acetate
tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Pyrimido[2,1-f]purine-7-carboxaldehyde,1,2,3,4,8,9-hexahydro-6-hydroxy-1,3-dimethyl-2,4,8-trioxo-9-(phenylmethyl)-
N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONAMIDE
Urea, N-[(2-chloro-6,8-dimethyl-3-quinolinyl)methyl]-N-(1-methylethyl)-N-phenyl- (9CI)
2-benzhydryloxyethyl(trimethyl)azanium,methyl sulfate
Urea, N-(4-chlorophenyl)-N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]- (9CI)
3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
Acodazole hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
N-De(4-sulfonamidophenyl)-N-(4-sulfonamidophenyl) Celecoxib
4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
Bevantolol hydrochloride
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].
2-Methyl-2-propanyl 3-iodo-4,4-dimethyl-1-oxa-7-azaspiro[4.4]nona ne-7-carboxylate
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)-
Tert-Butyl 3-(Iodomethyl)-2-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate
1-Pyrrolidinecarboxylic acid, 2-[(carboxyMethoxy)Methyl]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
[4-(2,4-difluorophenyl)-2-(ethylcarbamoyl)phenyl] benzoate
[4-(2,4-difluorophenyl)-2-(dimethylcarbamoyl)phenyl] benzoate
(S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride
6-isoquinolin-5-yl-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide
4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
Methyl4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-carboxylate
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].
ethyl 8-cyano-7-Methoxy-2-(p-tolylthioMethyl)iMidazo[1,2-a]pyridine-3-carboxylate
[1,1:3,1-Terphenyl]-4,4-dicarbonitrile, 5-(4-cyanophenyl)-
1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine Dihydrochloride
4-(4-BENZYLPIPERAZINO)-1H-INDOLE DIHYDROCHLORIDE MONOHYDRATE
4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine
Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4H-1,2,4-triazol-3-yl)-
AZD 2066 is a selective, orally active and brain-penetrant antagonist of mGluR5. AZD 2066 has antinociception effects[1].
1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea
Esmirtazapine maleate
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
2-(((1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)ethanesulfonic acid
1-(1-(Methylsulfonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
2-(2-furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[[2-(3,4-Dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]butanoic acid
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
N-[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyphenyl]-2-pyridinecarboxamide
(8E)-2-amino-6-ethyl-4-(thiophen-2-yl)-8-(thiophen-2-ylmethylidene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
(E)-3-(Cyclopropylethynyl)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one
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
[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]quinazolin-2-Yl}imino)cyclohexa-2,5-Dien-1-Yl]acetonitrile
Pleconaril
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
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C26170 - Protective Agent > C1509 - Neuroprotective Agent N - Nervous system
cefadroxil monohydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
netoglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Netoglitazone is a dual agonist of PPARα and PPARγ with antihyperglycemic activity[1].
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
[4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9H-anthracen-2-yl]acetate
(5Z)-5-[[4-[(1-Pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
2-[1-[[2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxopropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide
3-(2-Furanylmethyl)-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
1-(4-Fluorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
5-[(4-fluorophenyl)methylsulfonylmethyl]-N-(2-oxolanylmethyl)-2-furancarboxamide
N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamide
1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(phenylmethyl)amino]acetamide
N-(3-chloro-2-methylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
2-[(2-nitro-3-pyridinyl)oxy]-N-[2-(phenylthio)phenyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
2-[9-(4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
2-methyl-N-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazide
1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolyl)acetamide
2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
2-[2-[[2-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
(2E)-N-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}-3-(2-methoxyphenyl)acrylamide
(15R)-13-(2,5-Difluorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
N-(4-acetylphenyl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanamide
(15R)-13-(2,4-Difluorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
4-(1-Hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enamide
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
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
(1R,2aS,8bS)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aS,8bS)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
(1S,2aR,8bR)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aR,8bR)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(6S,7S,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-alpha-aspartyl-beta-alanine
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
3-oxo-N-(4-phenylphenyl)-2,4-dihydro-1H-pyrido[1,2-a]benzimidazole-4-carboxamide
1-(2-Hydroxypropyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
(2E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
4-hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2H-chromen-2-one
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
1,3,4,10,11,12-Hexahydroxy-6-methyltetracene-2-carboxamide
AT7519
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
kinanthraquinone
A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enamidyl, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593, and shows moderate cytotoxicity against HL-60 and NRK cells.
9-(beta-D-glucosyl)-trans-zeatin
An N-glycosylzeatin that is trans-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.
7-(beta-D-glucosyl)-cis-zeatin
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-7.
Ceranib-2
Ceranib-2 is a potent and nonlipid ceramidase inhibitor that inhibits cellular ceramidase activity with an IC50 of 28 μM in SKOV3 cells. Ceranib-2 induces the accumulation of multiple ceramide species, decreases levels of sphingosine and sphingosine-1-phosphate (S1P), and induces cell apoptosis. Anticancer activity[1][2].
ND-011992
ND-011992 is a reversible, selective quinazoline-type inhibitor targeting quinone reductases and quinol oxidases. ND-011992 inhibits respiratory complex I and bo3 oxidase in addition to bd-I and bd-II oxidases in E. coli strain BL21*Δcyo with the IC50 of 0.12, 2.47, 0.63 and 1.3 μM, respectively. ND-011992 can be used for tuberculosis study[1].
PCSK9-IN-11
PCSK9-IN-11 (compound 5r) is a potent and orally active PCSK9 inhibitor. PCSK9-IN-11 exhibits PCSK9 transcriptional inhibitory activity in HepG2 cells, with an IC50 of 5.7 μM. PCSK9-IN-11 increases LDL receptor (LDLR) protein level. PCSK9-IN-11 can be used for atherosclerosis research[1].
PI3K/Akt/CREB activator 1
PI3K/Akt/CREB activator 1 (compound AE-18) is a potent, orally active PI3K/Akt/CREB activator. PI3K/Akt/CREB activator 1 promotes neuronal proliferation, induced differentiation of Neuro-2a cells into a neuron-like morphology, and accelerated the establishment of axon-dendrite polarization of primary hippocampal neurons through upregulating brain-derived neurotrophic factor via the PI3K/Akt/CREB pathway. PI3K/Akt/CREB activator 1 can be used in research of vascular dementia (VaD)[1].
4-(methoxycarbonyl)-7-methyl-1h,2h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyridin-6-yl 1-methyl-2,7-naphthyridine-4-carboxylate
2,7,8-trimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),2,4,6,8,14,16(20)-heptaen-10-one
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
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
(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
5-(6,7-dimethoxyisoquinoline-1-carbonyl)-2h-1,3-benzodioxole-4-carboxylic acid
(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
6-methyl-7,8-dihydro-2h-3',5',12'-trioxaspiro[[1,3]dioxolo[4,5-g]isoquinoline-5,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(9'),2'(6'),7'-triene-10',13'-dione
(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
(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
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
{"Ingredient_id": "HBIN003941","Ingredient_name": "2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one","Alias": "NA","Ingredient_formula": "C22H23NO5","Ingredient_Smile": "NA","Ingredient_weight": "381.42","OB_score": "76.76796","CAS_id": "102421-42-1","SymMap_id": "SMIT06190","TCMID_id": "NA","TCMSP_id": "MOL004234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-oxocorynoline
{"Ingredient_id": "HBIN012735","Ingredient_name": "6-oxocorynoline","Alias": "NA","Ingredient_formula": "C21H19NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16292","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acutuminine
{"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
{"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"}
