Exact Mass: 369.1576148
Exact Mass Matches: 369.1576148
Found 500 metabolites which its exact mass value is equals to given mass value 369.1576148,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
alpha-Allocryptopine
Alpha-allocryptopine, also known as alpha-fagarine or beta-homochelidonine, is a member of the class of compounds known as protopine alkaloids. Protopine alkaloids are alkaloids with a structure based on a tricyclic protopine formed by oxidative ring fission of protoberberine N-metho salts. Alpha-allocryptopine is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-allocryptopine can be found in barley, which makes alpha-allocryptopine a potential biomarker for the consumption of this food product. Allocryptopine is a dibenzazecine alkaloid, an organic heterotetracyclic compound, a tertiary amino compound, a cyclic ketone, a cyclic acetal and an aromatic ether. Allocryptopine is a natural product found in Zanthoxylum beecheyanum, Berberis integerrima, and other organisms with data available. See also: Sanguinaria canadensis root (part of). KEIO_ID A137; [MS2] KO008812 KEIO_ID A137; [MS3] KO008813 KEIO_ID A137 Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2]. Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2].
Heroin
C21H23NO5 (369.15761480000003)
A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 1533
fleroxacin
C17H18F3N3O3 (369.13001940000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
6-Hydroxyprotopine
C20H19NO6 (369.12123140000006)
A dibenzazecine alkaloid that is protopine bearing a hydroxy substituent at the 6-position.
Fumaricine
C21H23NO5 (369.15761480000003)
Trimetrexate
C19H23N5O3 (369.18008080000004)
A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against pneumocystis pneumonia in AIDS patients. Myelosuppression is its dose-limiting toxic effect. [PubChem] P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D06238
Epanolol
C20H23N3O4 (369.16884780000004)
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Same as: D06646
ARQ-197
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Amisulpride
Amisulpride (trade name Solian) is an antipsychotic drug sold by Sanofi-Aventis. It is not approved for use in the United States, but is approved for use in Europe and Australia for the treatment of psychoses and schizophrenia. Additionally, it is approved in Italy for the treatment of dysthymia (under the brand name Deniban). Amisulpride is a selective dopamine antagonist. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic 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 > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Amisulpride is a dopamine D2/D3 receptor antagonist with Kis of 2.8 and 3.2 nM for human dopamine D2 and D3, respectively.
Ochratoxin B
C20H19NO6 (369.12123140000006)
Ochratoxin B is a metabolite of Aspergillus ochraceu
Romucosine D
C21H23NO5 (369.15761480000003)
Romucosine D is found in alcoholic beverages. Romucosine D is an alkaloid from Rollinia mucosa (biriba). Alkaloid from Rollinia mucosa (biriba). Romucosine D is found in alcoholic beverages and fruits.
Niazicinin
Niazicinin is a glucosinolate and a naturally occurring carbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans rotamer is named niazicinin A.
Isorheagenine
C20H19NO6 (369.12123140000006)
Rhoeagenine is an alkaloid from Papaver rhoeas (corn poppy
7-Hydroxydehydroglaucine
C21H23NO5 (369.15761480000003)
7-Hydroxydehydroglaucine is found in beverages. 7-Hydroxydehydroglaucine is an alkaloid from Annona purpurea (soncoya). Alkaloid from Annona purpurea (soncoya). 7-Hydroxydehydroglaucine is found in beverages and fruits.
N-Deisopropyl-fluvastatin
C21H20FNO4 (369.13762920000005)
N-Deisopropyl-fluvastatin is only found in individuals that have used or taken Fluvastatin. N-Deisopropyl-fluvastatin is a metabolite of Fluvastatin. N-deisopropyl-fluvastatin belongs to the family of Indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
Galunisertib
C22H19N5O (369.15895240000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Imrecoxib
C21H23NO3S (369.1398568000001)
2-[5-Methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid
C21H23NO3S (369.1398568000001)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid
Taspine
C20H19NO6 (369.12123140000006)
6-methylthiohexyldesulfoglucosinolate
6-methylthiohexyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-methylthiohexyldesulfoglucosinolate can be found in a number of food items such as quinoa, chinese mustard, sweet basil, and green bean, which makes 6-methylthiohexyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
Cryptopine
C21H23NO5 (369.15761480000003)
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Cryptolepine-type alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.618 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.612
5,6,7,7a-Tetrahydro-10-hydroxy-11-methoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester
C20H19NO6 (369.12123140000006)
Jacoline
A pyrrolizine alkaloid obtained from senecionine by formal addition of hydrogen peroxide across the ethylidene double bond.
2-(2-Hydroxy-4-methoxyphenyl)-5,8-dimethoxy-3-propyl-4(1H)-quinolinone
C21H23NO5 (369.15761480000003)
5-{[2-imino-4-(4-methoxybenzyl)-1-methyl-1,2-dihydro-1H-imidazol-5-yl]methyl}-2-methoxy-1,3-benzenediol|naamine C
C20H23N3O4 (369.16884780000004)
1,9,10-trimethoxy-2,3-methylenedioxyaporphine
C21H23NO5 (369.15761480000003)
(12Xi,13Xi,14Xi,15Xi)-12,15,18-Trihydroxy-14-methyl-15,20-dihydro-21-nor-senecionan-11,16-dion|(12Xi,13Xi,14Xi,15Xi)-12,15,18-trihydroxy-14-methyl-15,20-dihydro-21-nor-senecionan-11,16-dione|12,15,18-trihydroxy-14xi-methyl-(12xiH,13xiH,15xiH)-15,20-dihydro-21-nor-senecionane-11,16-dione|Sceleratin
(-)-O7-demethyl-adlumine|(R)-6-((R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-6H-furo[3,4:3,4]benzo[1,2-d][1,3]dioxol-8-one|severcine|Severtzin|severtzine
C20H19NO6 (369.12123140000006)
N,N-dimethyl-N-deacetyl-(-)-cornigerine
C21H23NO5 (369.15761480000003)
N-(4-methoxy-cis-cinnamoyl)-3-(4-methoxyphenyl)-L-alanine methyl ester
C21H23NO5 (369.15761480000003)
2,3-Dihydro-4-hydroxycapitavine|trihydroxy-5,7,4 (methyl-1 piperidinyl-2)-6 flavanone
C21H23NO5 (369.15761480000003)
Allocryptopine
C21H23NO5 (369.15761480000003)
Allocryptopine is a dibenzazecine alkaloid, an organic heterotetracyclic compound, a tertiary amino compound, a cyclic ketone, a cyclic acetal and an aromatic ether. Allocryptopine is a natural product found in Zanthoxylum beecheyanum, Berberis integerrima, and other organisms with data available. See also: Sanguinaria canadensis root (part of). IPB_RECORD: 788; CONFIDENCE confident structure Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2]. Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2].
2-(2-hydroxy-4-methoxyphenyl)-5,8-dimethoxy-3-propyl-1h-quinolin-4-one
C21H23NO5 (369.15761480000003)
(+)-isomalbrancheamide B|(5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,5,6,11,12,12a,13-octahydro-1H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one|isomalbrancheamide B
1,2-Dimethoxy-7-methyl-5H,6H,8H,11H,14H-benzo[1,2-4,5]azecino[9,8-2,1]benzo[4,5-d]1,3-dioxolan-15-one
C21H23NO5 (369.15761480000003)
N-methyl-7-O-beta-D-glucopyranosyl-alpha-homonojirimycin
C14H27NO10 (369.16348819999996)
1,2-Dimethoxy-6-methyl-5,7,8,15-tetrahydro-6H-benzo[c][1,3]dioxolo[4,5:4,5]benzo[1,2-g]azecin-14-one
C21H23NO5 (369.15761480000003)
2,3-methanediyldioxy-4,6-dimethoxy-17-methyl-10a-homo-morphina-5,8(14)-dien-7-one|Alkaloid CC-20|alkaloid CC-20 (Colchicum cornigerum)
C21H23NO5 (369.15761480000003)
(7Xi,8S)-8,6-dimethoxy-2-methyl-6,8,3,4-tetrahydro-2H-spiro[indeno[4,5-d][1,3]dioxole-7,1-isoquinolin]-7-ol|Fumaritridin
C21H23NO5 (369.15761480000003)
8,9,13-trimethoxy-14-methyl-5,6,11,12-tetrahydro-5,11-epiazano-benzo[5,6]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxole
C21H23NO5 (369.15761480000003)
Tenovin-1
Tenovin-1, a p53 activator, protects p53 from MDM2-mediated degradation. Tenovin-1 acts through inhibition of the protein-deacetylating activities of SirT1 and SirT2. Tenovin-1 is also a dihydroorotate dehydrogenase (DHODH) inhibitor[1][2].
Palmatine
C21H23NO5 (369.15761480000003)
Palmatine hydroxide is an orally active and irreversible indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor with IC50s of 3 μM and 157μM against HEK 293-hIDO-1 and rhIDO-1, respectively. Palmatine hydroxide can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine hydroxide shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5]. Palmatine hydroxide is an orally active and irreversible indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor with IC50s of 3 μM and 157μM against HEK 293-hIDO-1 and rhIDO-1, respectively. Palmatine hydroxide can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine hydroxide shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5].
amisulpride
C17H27N3O4S (369.17221820000003)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic 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 > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; EAWAG_UCHEM_ID 2852 EAWAG_UCHEM_ID 2852; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2142 Amisulpride is a dopamine D2/D3 receptor antagonist with Kis of 2.8 and 3.2 nM for human dopamine D2 and D3, respectively.
fleroxacin
C17H18F3N3O3 (369.13001940000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
Diacetylmorphine (Heroin)
C21H23NO5 (369.15761480000003)
CONFIDENCE standard compound; INTERNAL_ID 1533
Fagarine I
C21H23NO5 (369.15761480000003)
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids, Cryptopine alkaloids Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2]. Allocryptopine, a derivative of tetrahydropalmatine, is extracted from Macleaya cordata (Thunb.) Pers. Papaveraceae. Allocryptopine has antiarrhythmic effects and potently blocks human ether-a-go-go related gene (hERG) current[1][2].
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based: Match]
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848675]
(3R,5S,6E)-rel-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-Heptenoic acid
C21H20FNO4 (369.13762920000005)
PC(3:0/3:0)
C14H28NO8P (369.15524580000005)
Dipropionylphosphatidylcholine
C14H28NO8P (369.15524580000005)
PC(7:0/0:0)
PC(7:0/0:0)[U]
PC(0:0/7:0)
PC(0:0/7:0)[U]
7-Hydroxydehydroglaucine
C21H23NO5 (369.15761480000003)
Romucosine D
C21H23NO5 (369.15761480000003)
3-C-[({2-[(3-Carboxypropanoyl)amino]benzyl}oxy)carbonyl]-1,5-dideoxypentitol
3-C-[({2-[(3-Carboxypropanoyl)amino]benzyl}oxy)carbonyl]-1,5-dideoxy-L-arabinitol
methyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoate
Acetamide, 2-[[2-(4-fluorophenyl)-7-methyl-4-quinazolinyl]thio]-N-(1-methylethyl)- (9CI)
C20H20FN3OS (369.13110420000004)
Acetamide, N-cycloheptyl-2-[(5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)
[4-(4-chloro-phenyl)-piperazin-1-yl]-(1h-indol-2-yl)-acetic acid
C20H20ClN3O2 (369.12439700000004)
2-{[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]SULFONYL}BENZOICACID
C17H23NO6S (369.12460180000005)
ETHYL 6-AMINO-5-CYANO-2-METHYL-4-(4-MORPHOLINOPHENYL)-4H-PYRAN-3-CARBOXYLATE
C20H23N3O4 (369.16884780000004)
2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-, (3S,4S)
N4-(3-aminophenyl)-5-fluoro-N2-(4-(2-methoxyethoxy)phenyl)pyrimidine-2,4-diamine
tert-Butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate
tert-butyl 3-((p-tolylsulfonyloxy)Methyl)piperidine-1-carboxylate
9-Phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
diethyl 1-tosylpyrrolidine-2,5-dicarboxylate
C17H23NO6S (369.12460180000005)
9-Phenyl-9H-carbazole-3-boronic acid pinacol ester
Tetrabutylammonium iodide
D013501 - Surface-Active Agents > D003902 - Detergents
1-(4-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER
C23H28ClNO (369.18593080000005)
9-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole
Dextromethorphan Hydrobromide Monohydrate
C18H28BrNO2 (369.13032880000003)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
ETHYL 5-HYDROXY-8-(2-METHOXYETHYL)-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
ADX-47273
ADX-47273 is a potent, selective and brain-penetrant mGluR5 positive allosteric modulator (PAM), with an EC50 of 0.17 μM for potentiation of glutamate (50 nM) response. ADX-47273 has antipsychotic and procognitive activities[1][2].
4-(6-acetyl-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidin-5-yl)benzoic acid
6,7-bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine
C20H23N3O4 (369.16884780000004)
5-Amino-1-Boc-3,4,5,6-tetrahydro-2H-[2,4]bipyridinyl oxalate
2-(2,4-dihydroxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
Saxagliptin hydrochloride Monohydrate
C18H25N3O2.HCl.H2O (369.18190880000003)
(1R,4R)-4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXYL 4-METHYLBENZENESULFONATE
1(2H)-PyriMidineacetic acid, 4-[bis[(1,1-diMethylethoxy)carbonyl]aMino]-2-oxo-
4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZENESULFONYL]-THIOMORPHOLINE
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
Deudextromethorphan hydrobromide
C18H28BrNO2 (369.13032880000003)
C78272 - Agent Affecting Nervous System
Chrysobactin
A catechol-type siderophore with a structure of D-lysyl-L-serine substituted on N(2) of the lysyl residue by a 2,3-dihydroxybenzoyl group. It is produced by the Gram-negative bacillus Dickeya dadantii (previously known as Erwinia chrysanthem). Only the catecholate hydroxyl groups participate in metal coordination, so chrysobactin cannot provide full 1:1 coordination of Fe(III); at neutral pH and concentrations of about 0.1 mM, ferric chrysobactin exists as a mixture of bis and tris complexes.
(15alpha,20R)-12,15,20-Trihydroxy-15,20-dihydrosenecionan-11,16-dione
4-[5-(2-Phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester
2-Amino-1-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
C19H23N5O3 (369.18008080000004)
L-Phenylalanine, L-phenylalanylglycyl-
C20H23N3O4 (369.16884780000004)
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
8-(2,5-Dimethoxy-benzyl)-2-fluoro-9-pent-9H-purin-6-ylamine
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol
2-{5-[Amino(iminio)methyl]-6-chloro-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate
C20H20ClN3O2 (369.12439700000004)
trimetrexate
C19H23N5O3 (369.18008080000004)
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D06238
Galunisertib
C22H19N5O (369.15895240000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Epanolol
C20H23N3O4 (369.16884780000004)
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Same as: D06646
2-[[6-Amino-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid
Strictosidine aglycone(1+)
Conjugate acid of strictosidine aglycone arising from deprotonation of the secondary amino group; major species at pH 7.3.
3alpha-Sulfooxy-5alpha-androstan-17-one
C19H29O5S- (369.17356040000004)
2-[[6-Azaniumyl-2-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-hydroxypropanoate
(2R)-2-amino-3-[[(1S,2R,4R,7E,11S)-4,8-dimethyl-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-12-yl]methylsulfanyl]propanoic acid
2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-hydroxy-5-phosphonopentanoic acid
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid
Canadaline
C21H23NO5 (369.15761480000003)
A natural product found in Corydalis cava and Hydrastis canadensis.
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
9-Methoxy-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone
2-[(2-acetamido-1-oxoethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
C20H23N3O4 (369.16884780000004)
N-[4-({2-[(2,5-dimethylphenoxy)acetyl]hydrazino}carbonyl)phenyl]propanamide
C20H23N3O4 (369.16884780000004)
5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide
1-(2,6-Dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea
C21H27N3OS (369.18747320000006)
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
3,4,5-trimethoxy-N-[2-(1-methyl-2-benzimidazolyl)ethyl]benzamide
C20H23N3O4 (369.16884780000004)
2-methoxy-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide
3-Oxo-5alpha-androstan-17beta-yl sulfate
C19H29O5S- (369.17356040000004)
6-linalyl-2-O,3-dimethylflaviolin-7-olate
An organic anion that is the conjugate base of 6-linalyl-2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
2,4-dimethyl-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide
2-[2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyridin-1-yl)-acetylamino]-benzoic acid methyl ester
2-[[5-[(2-Methyl-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide
5-[[2-(Diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione
4-(9H-fluoren-9-yl)-N-phenyl-1-piperazinecarboxamide
3-nitro-4-(2-oxolanylmethylamino)-N-(2-phenylethyl)benzamide
C20H23N3O4 (369.16884780000004)
N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
2-(benzotriazol-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
6,10-Dimethyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
C19H23N5O3 (369.18008080000004)
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(4-methylphenyl)-2-pyrrolidinecarboxamide
Hoerhammericine(1+)
An ammonium ion derivative resulting from the protonation of the tertiary amino group of hoerhammericine. The major species at pH 7.3. Note that the stereoconfiguration of the epoxy group is based on CHEBI:144374, and of the 19 hydroxy group on CHEBI:144372 (the same enzyme produces the two).
17-Oxo-5alpha-androstan-3beta-yl sulfate
C19H29O5S- (369.17356040000004)
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
1-(2,4-dimethylphenyl)-3-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]thiourea
C21H27N3OS (369.18747320000006)
N-ethyl-3-(1H-indol-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
4-[(Z)-N-anilino-C-(quinolin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
2-O-(N-acetyl-alpha-D-galactosaminyl)-L-fucitol
C14H27NO10 (369.16348819999996)
A 2-deoxy-D-galactoside consisting of N-acetyl-D-galactosamine attached to L-fucitol via an alpha-(1->2)-linkage.
1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
C22H23F2N2O+ (369.17783519999995)
N-[3-(1-imidazolyl)propyl]-2-phenyl-4-benzofuro[3,2-d]pyrimidinamine
C22H19N5O (369.15895240000003)
6-(Methylthio)hexyldesulfoglucosinolate
An omega-(methylsulfany)alkyl desulfoglucosinolate in which the omega-(methylsulfanyl)alkyl group is specified as 6-(methylsulfanyl)hexyl.
8-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-9H-purin-6-amine
(5E)-5-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide
C20H23N3O4 (369.16884780000004)
N-[[(2R,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide
C20H23N3O4 (369.16884780000004)
N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide
C20H23N3O4 (369.16884780000004)
cyclopropyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide
C20H23N3O4 (369.16884780000004)
N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide
C20H23N3O4 (369.16884780000004)
N-[[(2R,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]-2-pyridinecarboxamide
C20H23N3O4 (369.16884780000004)
[(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone
cyclopropyl-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
cyclopropyl-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
N-Ethyl-2,3,5,6-tetrahydro-4H,13H-15-oxa-3a,8-diaza-1H-dibenzo[a,hi]naphthacene-13-imine
(E)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
(5Z)-1-Prop-2-enyl-5-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Carbonic acid [4-[2-(ethoxycarbonylamino)ethyl]-2-ethoxycarbonyloxyphenyl] ethyl ester
N-[(2S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
C14H27NO10 (369.16348819999996)
2-Hydroxy-2,2-di(1-hydroxyethyl)acetic acid 2-(4-hydroxy-4-oxobutanoylamino)benzyl ester
2,3-Di(propanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
C14H28NO8P (369.15524580000005)
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] decanoate
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl] acetate
8-Trimethylsilyl-1-(methyl(1-naphthyl)silyl)naphthalene
C24H25Si2 (369.14947099999995)
(3-Acetyloxy-2-butanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
C14H28NO8P (369.15524580000005)
[1-Acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] heptanoate
C14H28NO8P (369.15524580000005)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] hexanoate
C14H28NO8P (369.15524580000005)
[1-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] pentanoate
C14H28NO8P (369.15524580000005)
2-heptanoyl-sn-glycero-3-phosphocholine
A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as heptanoyl.
1,2-dipropionyl-sn-glycero-3-phosphocholine
C14H28NO8P (369.15524580000005)
5alpha-dihydrotestosterone sulfate(1-)
C19H29O5S (369.17356040000004)
A steroid sulfate oxoanion that is the conjugate base of 5alpha-dihydrotestosterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
androsterone sulfate(1-)
C19H29O5S (369.17356040000004)
A steroid sulfate oxoanion that is the conjugate base of androsterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Gly-Phe-Phe
C20H23N3O4 (369.16884780000004)
A tripeptide composed of one glycine and two L-phenylalanine residues joined in sequence
epiandrosterone sulfate(1-)
C19H29O5S (369.17356040000004)
A steroid sulfate oxoanion that is the conjugate base of epiandrosterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
LPE(10:0)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
(R)-ADX-47273
(R)-ADX-47273 is a potent mGluR5 positive allosteric modulator, with an EC50 of 168 nM for potentiation .
(S)-Amisulpride
C17H27N3O4S (369.17221820000003)
(S)-Amisulpride (Esamisulpride) is a potent dopamine D2/D3 receptor antagonist. (S)-Amisulpride is an antagonist at the 5-HT7 receptor with a KI of 900 nM. (S)-Amisulpride has antipsychotic and antidepressant effects[1][2].
Aramisulpride
C17H27N3O4S (369.17221820000003)
Aramisulpride is a dopamine D2 receptor and serotonin receptor antagonist used for the research of metabolic disorders[1].
MAGL-IN-1
C22H24FNO3 (369.17401259999997)
MAGL-IN-1 is a potent, selective, reversible and competitive inhibitor of MAGL, with an IC50 of 80 nM. MAGL-IN-1 exhibits anti-proliferative effects against human breast, colorectal, and ovarian cancer cells. MAGL-IN-1 blocks MAGL in cell-based as well as in vivo assays[1].
VU0357017 (hydrochloride)
C18H28ClN3O3 (369.1819088000001)
VU0357017 hydrochloride (CID-25010775) is a potent, selective and brain-penetrant allosteric agonist of M1 muscarinic acetylcholine receptor, with an EC50 of 477 nM. VU0357017 hydrochloride is highly selective for M1 and has no activity at M2-M5 up to the highest concentrations tested (30 μM). VU0357017 hydrochloride can be used for the research of Alzheimer’s disease and schizophrenia[1][2][3].
(1r,4r,5r,6r,16r)-5,6-dihydroxy-6-(hydroxymethyl)-4-isopropyl-5-methyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
methyl (3s)-3-(1-{1-acetyl-9h-pyrido[3,4-b]indol-3-yl}-n-methylformamido)-3-hydroxypropanoate
(2e)-n-[(2r)-2-(acetyloxy)-2-(3,4-dimethoxyphenyl)ethyl]-3-phenylprop-2-enimidic acid
C21H23NO5 (369.15761480000003)
(9s)-9-(dimethylamino)-5,19-dimethoxy-15,17-dioxatetracyclo[10.7.0.0²,⁸.0¹⁴,¹⁸]nonadeca-1(12),2,4,7,13,18-hexaen-6-one
C21H23NO5 (369.15761480000003)
8-benzyl-2-(hexa-1,3-dien-1-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C21H23NO5 (369.15761480000003)
(1s,12s,13s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-2,4(8),9,14,16,18-hexaen-12-ol
C21H23NO5 (369.15761480000003)
(1s,12s)-9,15,16-trimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13(18),14,16-hexaene
C21H23NO5 (369.15761480000003)
(2e)-n-[(2s)-1-methoxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enimidic acid
C21H23NO5 (369.15761480000003)
9-(dimethylamino)-5,19-dimethoxy-15,17-dioxatetracyclo[10.7.0.0²,⁸.0¹⁴,¹⁸]nonadeca-1(12),2,4,7,13,18-hexaen-6-one
C21H23NO5 (369.15761480000003)
5,6-dihydroxy-6-(1-hydroxyethyl)-4-isopropyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
6,7-dimethoxy-12-methyl-17,19-dioxa-12-azatetracyclo[12.7.0.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-3-one
C21H23NO5 (369.15761480000003)
(12bs)-3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
C21H23NO5 (369.15761480000003)
(1r,4s,5r,6r,7r,17r)-4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(12s)-2,16,17-trimethoxy-11-methyl-4,6-dioxa-11-azapentacyclo[10.7.1.0³,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,3(7),8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
5-({2-imino-1-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl}methyl)-2-methoxybenzene-1,3-diol
C20H23N3O4 (369.16884780000004)
n-[2-(acetyloxy)-2-(3,4-dimethoxyphenyl)ethyl]-3-phenylprop-2-enimidic acid
C21H23NO5 (369.15761480000003)
n-[(4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
4,7-dihydroxy-7-(hydroxymethyl)-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
1-hydroxy-2,4-dimethoxy-10-methyl-4-(3-methylbut-2-en-1-yl)acridine-3,9-dione
C21H23NO5 (369.15761480000003)
2-[(2-amino-1-hydroxypropylidene)amino]-3-[2-({hydroxy[4-oxo-3-(sec-butyl)oxetan-2-yl]methylidene}amino)cyclopropyl]propanoic acid
argemexicaine a
C21H23NO5 (369.15761480000003)
{"Ingredient_id": "HBIN016709","Ingredient_name": "argemexicaine a","Alias": "NA","Ingredient_formula": "C21H23NO5","Ingredient_Smile": "CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C=CC(=C4OC)OC)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1665","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
argemexicaine b
C21H23NO5 (369.15761480000003)
{"Ingredient_id": "HBIN016710","Ingredient_name": "argemexicaine b","Alias": "NA","Ingredient_formula": "C21H23NO5","Ingredient_Smile": "CN1CCC2=C(C(=O)CC3=CC4=C(C=C3C1)OCO4)C(=C(C=C2)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1666","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baicalidine
C21H23NO5 (369.15761480000003)
{"Ingredient_id": "HBIN017514","Ingredient_name": "baicalidine","Alias": "NA","Ingredient_formula": "C21H23NO5","Ingredient_Smile": "NA","Ingredient_weight": "369.41","OB_score": "42.62849499","CAS_id": "83008-39-3","SymMap_id": "SMIT10009","TCMID_id": "NA","TCMSP_id": "MOL008786","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3r,4s,5s,6r)-2-{[1-(hydroxyimino)-7-(methylsulfanyl)heptyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,4s,5r,6r,7s,17r)-4,7-dihydroxy-7-(hydroxymethyl)-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(3'as,6'r,6'ar)-3'a-hydroxy-2'-imino-6'a-methoxy-6'-(4-methoxyphenyl)-3'-methyl-4',6'-dihydro-1'h-spiro[cyclohexane-1,5'-cyclopenta[d]imidazole]-2,5-dien-4-one
C20H23N3O4 (369.16884780000004)
(1r,6s,17r)-4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,7ar)-7-({[(2r,3s)-2,3-dihydroxy-2-(hydroxymethyl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 3-methylbut-2-enoate
(1s,13s,15s)-7-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
7-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
(6s,7s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-7-hydroxy-4,6-dimethylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
6',8-dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-7'-ol
C21H23NO5 (369.15761480000003)
n-[1-methoxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enimidic acid
C21H23NO5 (369.15761480000003)
1,6-dihydroxy-3,5-dimethoxy-10-methyl-4-(3-methylbut-2-en-1-yl)acridin-9-one
C21H23NO5 (369.15761480000003)
(1r,4r,5s,6r,16r)-5,6-dihydroxy-6-[(1s)-1-hydroxyethyl]-4-isopropyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
methyl (9s)-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate
C21H23NO5 (369.15761480000003)
(1s,4r,5r,6s,16r)-5,6-dihydroxy-6-[(1s)-1-hydroxyethyl]-4-isopropyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
7,8-dimethoxy-12-methyl-17,19-dioxa-12-azatetracyclo[12.7.0.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaen-2-one
C21H23NO5 (369.15761480000003)
(2e,4e,6s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6-(hydroxymethyl)-4-methylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
17,18,19-trimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(20),2,4(8),9,16,18-hexaene
C21H23NO5 (369.15761480000003)
(7r,8r)-6',7'-dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-ol
C21H23NO5 (369.15761480000003)
(5s)-3,4,10,11-tetramethoxy-7,8-dihydro-5h-6-azatetraphen-5-ol
C21H23NO5 (369.15761480000003)
(1r,4r,5r,6r,16r)-5,6-dihydroxy-6-[(1r)-1-hydroxyethyl]-4-isopropyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1s,2s)-2-({[(2r)-3-[(2s)-butan-2-yl]-4-oxooxetan-2-yl](hydroxy)methylidene}amino)cyclopropyl]propanoic acid
(4r)-1-hydroxy-2,4-dimethoxy-10-methyl-4-(3-methylbut-2-en-1-yl)acridine-3,9-dione
C21H23NO5 (369.15761480000003)
(1s,4r,6s,7s,17r)-4,7-dihydroxy-4-[(1s)-1-hydroxyethyl]-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(5r)-5-[(4-hydroxyphenyl)methyl]-2-imino-5-[(s)-methoxy(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
C20H23N3O4 (369.16884780000004)
3-[(2e,4e,6s)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
C21H23NO5 (369.15761480000003)
2,3-dimethoxy-6-({6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)benzaldehyde
C21H23NO5 (369.15761480000003)
3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
C21H23NO5 (369.15761480000003)
4,7-dihydroxy-4-(1-hydroxyethyl)-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
6',7'-dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-ol
C21H23NO5 (369.15761480000003)
5,6-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaen-2-one
C21H23NO5 (369.15761480000003)
17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-2,4(8),9,14,16,18-hexaen-12-ol
C21H23NO5 (369.15761480000003)
(12r)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
7-({[2,3-dihydroxy-2-(hydroxymethyl)butanoyl]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]-2-[(2s,5s,6s)-3,5,6-trimethyl-5,6-dihydro-2h-pyran-2-yl]ethanone
C21H23NO5 (369.15761480000003)
methyl 2-({9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-3h-purin-2-ylidene}amino)propanoate
methyl 2-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-3h-purin-2-ylidene}amino)propanoate
1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6-(hydroxymethyl)-4-methylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
2-[(6-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-3-hydroxypropanoic acid
6,7-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one
C21H23NO5 (369.15761480000003)
1-[(3,4-dimethoxyphenyl)(methoxy)methyl]-6,7-dimethoxyisoquinoline
C21H23NO5 (369.15761480000003)
4-hydroxy-n-[(3s,5r)-2-hydroxy-3-[(4-hydroxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1,4-diazocin-5-yl]benzamide
C20H23N3O4 (369.16884780000004)
4-ethylidene-7,12-dihydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecan-14-ium-14-olate
(2z)-n-[(2s)-1-methoxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)prop-2-enimidic acid
C21H23NO5 (369.15761480000003)
3-[(2e,4e)-4,6-dimethylocta-2,4-dienoyl]-1,2-dihydroxy-5-(4-hydroxyphenyl)pyridin-4-one
C21H23NO5 (369.15761480000003)
n-[(4-{[(2r,3r,4r,5s,6r)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
6-(1h-indol-3-ylmethyl)-3-isopropyl-5-[(1e)-2-phenylethenyl]-1h-pyrazin-2-one
(2e,4e)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6-(hydroxymethyl)-4-methylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
(1r,5r)-4,7-dihydroxy-7-(hydroxymethyl)-4,5,6-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
2-hydroxy-3,10,11-trimethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphene-1-carbaldehyde
C21H23NO5 (369.15761480000003)
(2s)-2-{[(2r)-6-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene]amino}-3-hydroxypropanoic acid
4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-ol
C21H23NO5 (369.15761480000003)
(1s,13s,15s)-6-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
6-(1h-indol-3-ylmethyl)-3-isopropyl-5-[(1z)-2-phenylethenyl]-1h-pyrazin-2-one
(2e)-3-(2h-1,3-benzodioxol-5-yl)-n-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylprop-2-enamide
C21H23NO5 (369.15761480000003)
(1r)-7-({[2,3-dihydroxy-2-(hydroxymethyl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
(12s)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
(1r,4s,6r,7r,17r)-4,7-dihydroxy-4-[(1r)-1-hydroxyethyl]-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
2-{4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-1-oxo-3h-isoindol-2-yl}ethanesulfonic acid
C17H23NO6S (369.12460180000005)
(1r,4r,5s,6r,16s)-5,6-dihydroxy-6-[(1s)-1-hydroxyethyl]-4-isopropyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(2s,3r,4s,5r)-2-{[(4e)-4-(chloromethylidene)-8-methyl-2,3-dihydro-1h-quinolin-6-yl]oxy}-3,5-dimethoxyoxan-4-ol
C18H24ClNO5 (369.13429240000005)
2-{[4-(chloromethylidene)-8-methyl-2,3-dihydro-1h-quinolin-6-yl]oxy}-3,5-dimethoxyoxan-4-ol
C18H24ClNO5 (369.13429240000005)
(2e,4z,6s,7s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-7-hydroxy-4,6-dimethylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
2-{1,2-dimethoxy-9h-phenanthro[2,3-d][1,3]dioxol-4-yl}-n,n-dimethylethanamine oxide
C21H23NO5 (369.15761480000003)
3-[(2e,4e)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
C21H23NO5 (369.15761480000003)
5,6-dihydroxy-4-(2-hydroxypropan-2-yl)-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
(2r,3r,4s,5s,6r)-2-(hydroxymethyl)-1-methyl-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)piperidine-3,4,5-triol
C14H27NO10 (369.16348819999996)
(2e,4e,6s,7s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-7-hydroxy-4,6-dimethylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
2,15-dihydroxy-11-methoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one
C20H23N3O4 (369.16884780000004)
(1s,9r,14s)-2,15-dihydroxy-11-methoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10,15-pentaen-12-one
C20H23N3O4 (369.16884780000004)
n-[(4-{[(2s,3r,4s,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
3-(2h-1,3-benzodioxol-5-yl)-n-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylprop-2-enamide
C21H23NO5 (369.15761480000003)
15,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
7,8-dimethoxy-2-methyl-17,19-dioxa-2-azatetracyclo[12.7.0.0⁵,¹⁰.0¹⁶,²⁰]henicosa-1(21),5(10),6,8,14,16(20)-hexaen-11-one
C21H23NO5 (369.15761480000003)
7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
(7r,8r)-6',8-dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-7'-ol
C21H23NO5 (369.15761480000003)
5-hydroxy-6,7-dimethoxy-4-(5-phenylpentyl)-1h-indole-2,3-dione
C21H23NO5 (369.15761480000003)
(1r,7as)-7-({[(2r,3s)-2,3-dihydroxy-2-(hydroxymethyl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate
9,15,16-trimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13(18),14,16-hexaene
C21H23NO5 (369.15761480000003)
(5r,8r,9r)-8-benzyl-2-[(1e,3e)-hexa-1,3-dien-1-yl]-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
C21H23NO5 (369.15761480000003)
2,16,17-trimethoxy-11-methyl-4,6-dioxa-11-azapentacyclo[10.7.1.0³,⁷.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,3(7),8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2s)-2-({hydroxy[(3s)-4-oxo-3-(sec-butyl)oxetan-2-yl]methylidene}amino)cyclopropyl]propanoic acid
(1r,4s,5r,6r,16r)-5,6-dihydroxy-6-[(1s)-1-hydroxyethyl]-4-isopropyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
5,6-dimethoxy-12-methyl-17,19-dioxa-12-azatetracyclo[12.7.0.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),4,6,8,14,16(20)-hexaen-3-one
C21H23NO5 (369.15761480000003)
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2s)-2-({[(2r,3s)-3-[(2s)-butan-2-yl]-4-oxooxetan-2-yl](hydroxy)methylidene}amino)cyclopropyl]propanoic acid
4,15,16-trimethoxy-20-methyl-6,8-dioxa-20-azapentacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2(10),3,5(9),13(18),14,16-hexaene
C21H23NO5 (369.15761480000003)
4,7-dihydroxy-4-(hydroxymethyl)-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
methyl 4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carboxylate
C21H23NO5 (369.15761480000003)
3,4,10,11-tetramethoxy-7,8-dihydro-5h-6-azatetraphen-5-ol
C21H23NO5 (369.15761480000003)
(12s)-15,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
C21H23NO5 (369.15761480000003)
(8s)-6',7'-dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8-ol
C21H23NO5 (369.15761480000003)
7-({[2,3-dihydroxy-2-(hydroxymethyl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 2-methylbut-2-enoate
7,7-dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁸,²³]pentacosa-1,3,5,9,11,17(25),18,20,22-nonaen-13-one
3-(4,6-dimethylocta-2,4-dienoyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
C21H23NO5 (369.15761480000003)
(2e,4e,6r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6-(hydroxymethyl)-4-methylocta-2,4-dien-1-one
C21H23NO5 (369.15761480000003)
12,16-dimethoxy-21-methyl-4,6-dioxa-21-azapentacyclo[10.9.0.0²,¹⁰.0³,⁷.0¹³,¹⁸]henicosa-2,7,9,13(18),14,16-hexaen-15-ol
C21H23NO5 (369.15761480000003)