Exact Mass: 367.1508
Exact Mass Matches: 367.1508
Found 500 metabolites which its exact mass value is equals to given mass value 367.1508,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bicuculline
Bicuculline is a benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. It has a role as an agrochemical, a central nervous system stimulant, a GABA-gated chloride channel antagonist, a neurotoxin and a GABAA receptor antagonist. It is an isoquinoline alkaloid, a member of isoquinolines and a benzylisoquinoline alkaloid. Bicuculline is a light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Bicuculline is a natural product found in Fumaria capreolata, Fumaria densiflora, and other organisms with data available. Bicuculline is a light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Since it blocks the inhibitory action of GABA receptors, the action of bicuculline mimics epilepsy. This property is utilized in laboratories across the world in the in vitro study of epilepsy, generally in hippocampal or cortical neurons in prepared brain slices from rodents. This compound is also routinely used to isolate glutamatergic (excitatory amino acid) receptor function. An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors. A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Bicuculline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=485-49-4 (retrieved 2024-07-09) (CAS RN: 485-49-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
6-hydroxytryprostatin B
A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and hydroxy groups respectively.
Bicuculline (+)
Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
Tryptophyl-Tyrosine
Tryptophyl-Tyrosine is a dipeptide composed of tryptophan and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Casuarine 6-alpha-D-glucoside
Casuarine 6-alpha-D-glucoside is found in fruits. Casuarine 6-alpha-D-glucoside is an alkaloid from Eugenia jambolana (jambolan
Tyrosyl-Tryptophan
Tyrosyl-Tryptophan is a dipeptide composed of tyrosine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N-Acetyl-6-O-L-fucosyl-D-glucosamine
N-Acetyl-6-O-L-fucosyl-D-glucosamine is an oligosaccharin obtained from human milk (Fiziologiya i Biokhimiya Kulturnykh Rastenii (2002), 34(1), 52-57) [HMDB] N-Acetyl-6-O-L-fucosyl-D-glucosamine is an oligosaccharin obtained from human milk (Fiziologiya i Biokhimiya Kulturnykh Rastenii (2002), 34(1), 52-57).
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose is an oligosaccharide isolated from the urine of patients with fucosidosis (Fucosidosis is an autosomal recessive lysosomal storage disease caused by defective alpha-L-fucosidase with accumulation of fucose in the tissues. Different phenotypes include clinical features such as neurologic deterioration, growth retardation, visceromegaly, and seizures in a severe early form; coarse facial features, angiokeratoma corporis diffusum, spasticity and delayed psychomotor development in a longer surviving form; and an unusual spondylometaphyseoepiphyseal dysplasia in yet another form. OMIM 230000). (PMID 728478) [HMDB] 2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose is an oligosaccharide isolated from the urine of patients with fucosidosis (Fucosidosis is an autosomal recessive lysosomal storage disease caused by defective alpha-L-fucosidase with accumulation of fucose in the tissues. Different phenotypes include clinical features such as neurologic deterioration, growth retardation, visceromegaly, and seizures in a severe early form; coarse facial features, angiokeratoma corporis diffusum, spasticity and delayed psychomotor development in a longer surviving form; and an unusual spondylometaphyseoepiphyseal dysplasia in yet another form. OMIM 230000). (PMID 728478).
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose is an oligosaccharide is a fucosylated oligosaccharide specific to human, and in milk forms part of the innate immune system. (PMID: 1579031). It is present in a number of proteins, such as human transferrin. Hepatocytes contain a receptor that binds glycoproteins specifically through the fucose in alpha13 linkage to N-acetylglucosamine. (PMID: 276862). It is also present in some forms of human kidney enzyme alpha-L-fucosidase (EC 3.2.1.51) (PMID: 7215135). 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose is an oligosaccharide is a fucosylated oligosaccharide specific to human, and in milk forms part of the innate immune system. (PMID: 1579031)
Desmethylazelastine
Desmethylazelastine is a metabolite of Azelastine. Azelastine, an antiallergy and antiasthmatic drug, has been reported to be mainly N-demethylated to desmethylazelastine in humans. Azelastine N-demethylation in humans liver microsomes is catalyzed mainly by CYP3A4 and CYP2D6, and CYP1A2 to a small extent (in average, 76.6, 21.8, and 3.9\\%, respectively. (PMID: 10570018)
(+)-Bicuculline
{4-[4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl}acetic acid
AZD7687 is a potent, selective, reversible and orally active diacylglycerol acyltransferase 1 (DGAT1) inhibitor with an IC50 of 80 nM for human DGAT1. AZD7687 can be used for type 2 diabetes mellitus and obesity research[1][2].
Corynoline
4-[(2-Cyclobutylimidazo[4,5-b]pyrazin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Prucalopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D005765 - Gastrointestinal Agents > D054368 - Laxatives Prucalopride is an orally active, selective and specific 5-HT 4 receptor agonist (high affinity), with pKis of 8.6 and 8.1 for human 5-HT4a/4b receptors, respectively. Prucalopride improves intestinal motility by promoting regeneration of the intestinal nervous system in rats. Prucalopride also shows anticancer activity by blocking of the PI3K/AKT/mTor signaling pathway. Prucalopride can be used in studies of chronic constipation, pseudo-intestinal obstruction and cancer[1][2][3].
Pyrazoloacridine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
Riodipine
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid
4-[[1-(4-Tert-Butylphenyl)-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid
Corynoline
Corynoline is a benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. It has a role as a metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent and a hepatoprotective agent. It is a member of isoquinolines, an organic heterohexacyclic compound, a secondary alcohol, a cyclic acetal and a benzophenanthridine alkaloid. It is functionally related to a chelidonine. Corynoline is a natural product found in Corydalis bungeana, Corydalis remota, and other organisms with data available. A benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. Corynoline is a reversible and noncompetitive acetylcholinesterase (AChE) inhibitor with an IC50 of 30.6 μM[1]. Corynoline exhibits anti-inflammatory activity by activating Nrf2[2]. Corynoline is a reversible and noncompetitive acetylcholinesterase (AChE) inhibitor with an IC50 of 30.6 μM[1]. Corynoline exhibits anti-inflammatory activity by activating Nrf2[2].
8,14-Dihydro-3,4:10,11-bis(methylenedioxy)-6-methyldibenzo[c,g]azecine-5,13(6H,7H)-dione
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1h-indole-3-carboxamide
Jacobine N-oxide
A pyrrolizine alkaloid that is jacobine in which the tertiary amino function has been oxidised to the corresponding N-oxide. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2257 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 179 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 169 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 159 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 149 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 139 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 129 INTERNAL_ID 129; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 119 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 109
5b,13-dimethyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4,5:4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol
1-[4-Hydroxy-6-[2-(dimethylamino)ethyl]benzothiazole-2-yl]-3,4-dihydroisoquinoline-6-ol
6-benzoyloxy-2-(hydroxy-phenyl-methyl)-8-methyl-nortropan-3-ol
(E)-3-(methylsulfonyl)-propenoic acid 4-(3-methyl-2-butenyloxy)-3-methoxyphenethyl amide|O-methylsakambullin
1,2,3,10-Tetramethoxy-9-hydroxy-4,5,6,6??-dehydro-7-aporhhinone
3alpha-(3,4,5-trimethoxybenzoyloxy)tropan-6beta,7beta-diol|3alpha-(3,4,5-trimethoxybenzoyloxy)tropan-6beta,7beta-diol|Tropane-3alpha,6beta,7beta-triol 3-(3,4,5-trimethoxybenzoate)
1-Methyl-6,9,10-trimethoxy-1H-[1]benzoxepino[2,3,4-ij]isoquinoline-2,3-dione
marmesiline|N-[2-hydroxy-2-[4-[(2-hydroxy-3-methyl-3-butenyl)oxy]phenyl]ethyl]-3-phenyl-(2E)-2-propenamide
1,8-dihydroxy-6-(methyl)-3-methoxy-2-(piperidinium-2-yl) anthraquinone
4-[3-[N-[[(2S,3S)-3-trans-carboxyoxiran-2-yl]carbonyl]-L-leucyl]aminopropanyl]-1H-imidazol-2-ylamine|WF14865B
4,10,11-trimethoxy-5,6-dihydro-benzo[g][1,3]dioxolo[4,5:4,5]benzo[1,2,3-de]quinolin-8-one|4,5-dihydro-thalicminine|Thalicminin
4-Hydroxycapitavine|trihydroxy-5,7,4 (methyl-1 piperidinyl-2)-6 flavone
12b-hydroxy-5-methyl-13-oxo-6,7,12b,13-tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[4,5:7,8]isoquino[3,2-a]isoquinolinium betaine|13-Oxo-protopin|13-oxoprotopine|5-methyl-4,5,6,7-tetrahydro-[1,3]dioxolo[4,5:5,6]benzo[1,2-c][1,3]dioxolo[4,5:4,5]benzo[1,2-g]azecine-13,14-dione|5-Methyl-4,5,6,7-tetrahydro-[1,3]dioxolo[4,5:5,6]benzo[1,2-c][1,3]dioxolo[4,5:4,5]benz[1,2-g]azecin-13,14-dion|5-methyl-4,5,6,7-tetrahydro-[1,3]dioxolo[4,5:5,6]benzo[1,2-c][1,3]dioxolo[4,5:4,5]benz[1,2-g]azecine-13,14-dione|oxyprotopine
Spiro[isoquinoline-1,2-indene],1,2,3,4,2,3-hexahydro-6,7-dimethoxy-2-methyl-6,7-methylendioxy-1-oxo-
Isatidine
Isatidine is a citraconoyl group.
Oxypalmatine
8-Oxypalmatine is a natural product found in Berberis actinacantha, Limaciopsis loangensis, and other organisms with data available. Oxypalmatine is isolated from Phellodendron amurense[1].
Jacobine N-oxide
(+)-Bicuculline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.536 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.533 Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
1,2,9,10-tetramethoxy-6,7-dimethyl-5,6-dihydro-4H-dibenzo[de,g]quinoline
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.137 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.143
Adenosine 5-succinate
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.417
N-Acetyl-6-O-L-fucosyl-D-glucosamine
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose
-O-Fucopyranosyl-2-acetamido-2-deoxyglucopyranose
TRP-Tyr
A dipeptide formed from L-tryptophan and L-tyrosine residues.
Tyr-TRP
A dipeptide formed from L-tyrosine and L-tryptophan residues.
Casuarine 6-a-D-glucoside
2-(3,4-dimethoxyphenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine,hydrochloride
N2-ibu-2-OMe-rG
N2-Isobutyryl-2'-O-methylguanosine (N2-IBU-2'-OME-RG) is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Benzenepropanoic acid,a-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester,(aS)
Dimoxyline
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
3-(3-N-BOC-AMINO-PYRROLIDIN-1-YL)-1-(6-CHLORO-PYRIDIN-3-YL)-2-METHYL-PROPAN-1-ONE
1-(6-CHLORO-PYRIDIN-3-YL)-2-METHYL-3-(4-BOC-PIPERAZIN-1-YL)-PROPAN-1-ONE
1-(6-CHLORO-PYRIDIN-3-YL)-3-(4-BOC-PIPERAZIN-1-YL)-BUTAN-1-ONE
(1R,2S,3R,4R,5R)-4-Azido-2,3-bis(benzyloxy)-6,8-dioxabicyclo[3.2. 1]octane (non-preferred name)
3-METHYL-4-(4-(PYRIDIN-2-YLMETHOXY)CYCLOHEXANECARBOXAMIDO)BENZAMIDE
5-(4-(Methylsulfonyl)piperazin-1-yl)pyridine-3-boronic acid pinacol ester
4H,6H-Indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium, 5a,10b-dihydro-2-(2,4,6-trimethylphenyl)-, chloride , (5aS,10bR)
diethyl-[2-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxyethyl]azanium,chloride
3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one,hydrochloride
N-(1-Boc-piperidin-4-ylidene)-4-methylbenzenesulfonohydrazide
4-METHYL-3-(4-(PYRIDIN-2-YLMETHOXY)CYCLOHEXANECARBOXAMIDO)BENZAMIDE
(S)-5-(BENZYLOXY)-2-(1,3-DIOXOISOINDOLIN-2-YL)-5-OXOPENTANOIC ACID
(2R,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-hydroxypiperidine-2-carboxylic acid
2-ACETAMIDO-2-DEOXY-3-O-(A-L-FUCOPYRANOSYL)-D-GLUCOPYRANOSE
Methanone, (3-ethyl-5-methyl-4-isoxazolyl)[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]
(S)-N,N-DIMETHYL-8,9,10,11,12,13,14,15-OCTAHYDRODINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE
2-[[5-(DIBUTYLAMINO)-2-THIENYL]METHYLENE]-1H-INDENE-1,3(2H)-DIONE
Cipro
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 C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide,hydrochloride
Benzenepropanoic acid,a-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester, (aR)-
1,4-divinylbenzene,isocyanatomethylbenzene,styrene
Riodipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
2-ACETAMIDO-2-DEOXY-6-O-(ALPHA-L-FUCOPYRANOSYL)-D-GLUCOPYRANOSE
2-Borono-4-(phenylmethoxy)-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine
Tiracizine
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C - Cardiovascular system > C01 - Cardiac therapy
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(2-methoxyphenyl)azo]-3-oxobutyramide
2,6-Difluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Benzoicacid, 2-[4-(cyclohexylethylamino)-2-hydroxybenzoyl]-
2-Acetamido-2-deoxy-4-O-(a-L-fucopyranosyl)-D-glucopyranose
(R)-(4-(1-CHLOROPYRIDO[3,4-D]PYRIDAZIN-4-YL)-3-METHYLPIPERAZIN-1-YL)(PHENYL)METHANONE
Neocitrullamon
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives
Mirogabalin besylate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
[3H]dehydroepiandrosterone sulfate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(acetylamino)-2-deoxy-3-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-glucopyranose
4-(1-Benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile
alpha-L-fucosyl-(1->4)-N-acetyl-beta-D-glucosamine
An amino disaccharide consisting of an alpha-L-fucosyl residue attached to N-acetyl-beta-Dglucosamine by a (1->4)-glycosidic linkage.
4-(3,4-Dimethoxyphenyl)-2-(1-piperidinyl)-6-(trifluoromethyl)pyrimidine
3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester
N-((2S,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-((((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)acetamide
N-((2R,3R,4R,5S,6R)-2,4,5-Trihydroxy-6-((((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)acetamide
N-((2S,3R,4R,5S,6R)-2,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamide
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
4-{(1e)-3-Oxo-3-[(2-Phenylethyl)amino]prop-1-En-1-Yl}-1,2-Phenylene Diacetate
1-[4-(Aminomethyl)benzoyl]-5-fluoro-1H-spiro[piperidine-4,2-quinazolin]-4-amine
2-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-2H-[1,2,4]triazine-3,5-dione
2-{1-[2-Amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
prucalopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D005765 - Gastrointestinal Agents > D054368 - Laxatives Prucalopride is an orally active, selective and specific 5-HT 4 receptor agonist (high affinity), with pKis of 8.6 and 8.1 for human 5-HT4a/4b receptors, respectively. Prucalopride improves intestinal motility by promoting regeneration of the intestinal nervous system in rats. Prucalopride also shows anticancer activity by blocking of the PI3K/AKT/mTor signaling pathway. Prucalopride can be used in studies of chronic constipation, pseudo-intestinal obstruction and cancer[1][2][3].
Bicculine
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3]. Bicuculline ((+)-Bicuculline) is A competing neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+ activating potassium (SK) channels and subsequently blocks slow post-hyperpolarization (slow AHP). Bicuculline has anticonvulsant activity. Bicuculline can be used to induce seizures in mice[1][2][3][4]. Bicuculline ((+)-Bicuculline; d-Bicuculline), as a convulsant alkaloid, is a competitive neurotransmitter GABAA receptor antagonist (IC50=2 μM). Bicuculline also blocks Ca2+-activated potassium (SK) channels and subsequently blocks the slow afterhyperpolarization (slow AHP) [1][2][3].
2,3,10,11-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
4-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-oxobutanoic acid
3-hydroxy-5-methoxy-6-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-(3-methylbut-2-en-1-yl)phenolate
(2R)-3-{[1-(5,6-dihydropyridin-2-yl)-2-hydroxy-2-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}ethyl]sulfanyl}-2-acetamidopropanoate
3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one
(3E)-3-[(2E,4E,6E)-1-hydroxy-8-methyldeca-2,4,6-trienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
(4S)-2-[(S)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid
6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
4-[4-(Benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamide
5-[(4-methoxyphenyl)sulfonylmethyl]-N-(3-methoxypropyl)-2-furancarboxamide
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine
(2S,3S)-3-{[(2S)-1-{[3-(2-amino-1H-imidazol-4-yl)propyl]amino}-4-methyl-1-oxopentan-2-yl]carbamoyl}oxirane-2-carboxylic acid
2-[4-[2-(1-Cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester
5-(3-Methylbenzylidene)-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-1,3-thiazolidin-4-one
1-(4-Morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone
6-(4-morpholinyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
7-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-imino-1-benzopyran-3-carboxamide
(3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
N-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]octanediamide
N-hydroxy-N-[(E)-[4-(2-methylphenyl)phenyl]methylideneamino]heptanediamide
(2S,3S)-3-{[(2R)-1-{[3-(2-amino-1H-imidazol-4-yl)propyl]amino}-3-methyl-1-oxopentan-2-yl]carbamoyl}oxirane-2-carboxylic acid
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]pentanamide
3-[(4-Ethoxycarbonyl-4-phenyl-1-piperidinyl)methyl]benzoic acid
4-Hydroxybenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-isoxazolecarboxamide
N-{[5-(4-morpholinyl)-2-furyl]methylene}-3-(trifluoromethyl)benzohydrazide
methyl 2-({[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}amino)benzoate
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-3-benzofuranyl)-N-methylacetamide
N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]hexanamide
N-[5-ethyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydrochloride
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propyl-6-indazolecarboxamide
[1-(2,1,3-Benzothiadiazol-5-ylmethyl)-4-(2-phenylethyl)-4-piperidinyl]methanol
2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3,5-dimethoxy-6-(3-methylbut-2-en-1-yl)phenolate
(3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
7-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-5-thiazolo[3,2-a]pyrimidinone
4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
(6R)-6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
(2S,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
N-{(E)-amino[(4,7-dimethylquinazolin-2-yl)amino]methylidene}-2-(4-chlorophenyl)acetamide
Usaramine N-oxide
A pyrrolizine alkaloid that is senecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent. Usaramine N-oxide, a alkaloid isolated from Crotalaria pallida, possesses anti-inflammatory activities[1].
alpha-L-Rha-(1->3)-beta-D-GlcNAc
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having an alpha-L-rhamnosyl residue attached at the 3-position.
beta-L-fucosyl-(1->3)-N-acetyl-beta-D-glucosamine
An amino disaccharide consisting of a beta-L-fucosyl residue attached to N-acetyl-beta-Dglucosamine by a (1->3)-glycosidic linkage.
7-O-methylluteone(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylluteone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-alpha-D-rhamnopyranose
2-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-alpha-L-rhamnopyranose
2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one
(3R,6R,14aR,14bR)-3,6-dihydroxy-3-[(1R)-1-hydroxyethyl]-6-methyl-5-methylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
(2S,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2S,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
(2S,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
(2R,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylacetamide
(2R,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2R,3R,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2S,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2S,3R,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
(2R,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
2-(dimethylamino)-1-[(2S,3S)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
(2R,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2R,3R,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2S,3R,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(2R,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
(1R,5S)-N-(2-chlorophenyl)-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-(dimethylamino)-1-[(2S,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
N-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]octanediamide
beta-D-GlcpNAc-(1->3)-alpha-L-Rhap
An amino disaccharide consisting of alpha-L-rhamnose having an N-acetyl beta-D-glucosaminyl residue attached at the 3-position.
(3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl beta-D-glucopyranosiduronate
testosterone sulfate(1-)
A steroid sulfate oxoanion that is the conjugate base of testosterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose
WF14865B
A member of the class of guanidines isolated from the culture mycelium of the fungal strain Aphanoascus fulvescens and has been shown to exhibit inhibitory activity against cathepsin B and L.
WF14865A
A member of the class of guanidines isolated from the culture mycelium of the fungal strain Aphanoascus fulvescens and has been shown to exhibit inhibitory activity against cathepsin B and L.
N-[2-(4-Chloro-phenyl)-acetyl]-N-(4,7-dimethyl-quinazolin-2-yl)-guanidine
trans-3-hydroxycotinine beta-D-glucuronide(1-)
A carbohydrate acid derivative anion that is the conjugate base of trans-3-hydroxycotinine beta-D-glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.
dehydroepiandrosterone sulfate(1-)
The conjugate base of 3beta-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3.
dehydrojacoline
A pyrrolizine alkaloid that is jacoline in which the 5-methyl group has been replaced by methylene.
beta-D-GlcpNAc-(1->2)-alpha-L-Rhap
An amino disaccharide consisting of alpha-L-rhamnose having an N-acetyl beta-D-glucosaminyl residue attached at the 2-position.
beta-D-GlcpNAc-(1->4)-alpha-D-Rhap
An amino disaccharide consisting of an alpha-D-rhamnos residue having an N-acetyl-beta-D-glucosaminyl residue attached at the 4-position.
alpha-L-Fucp-(1->3)-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-D-glucosamine having an alpha-L-fucosyl residue attached at the 3-position.
alpha-L-fucosyl-(1->3)-N-acetyl-beta-D-glucosamine
An amino disaccharide consisting of an alpha-L-fucosyl residue attached to N-acetyl-beta-Dglucosamine by a (1->3)-glycosidic linkage.
2′,3′-Di-O-acetylguanosine
2′,3′-Di-O-acetylguanosine is a nucleoside analog[1].
APTO-253
APTO-253 (LOR-253) is a small molecule that inhibits c-Myc expression, stabilizes G-quadruplex DNA, and induces cell cycle arrest and apoptosis in acute myeloid leukemia cells. APTO-253 mediates anticancer activity through induction of the Krüppel-like factor 4 (KLF4) tumor suppressor[1][2]. APTO-253 has antiarthritic activity[3].
7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione
3-[(1-{[3-(2-imino-1,3-dihydroimidazol-4-yl)propyl]-c-hydroxycarbonimidoyl}-3-methylbutyl)-c-hydroxycarbonimidoyl]oxirane-2-carboxylic acid
5-hydroxy-7,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁸.0¹³,¹⁷]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
(2e)-n-[(2r)-2-hydroxy-2-(4-{[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}phenyl)ethyl]-3-phenylprop-2-enimidic acid
(2s,3s)-3-{[(1s,2s)-1-{[3-(2-imino-1,3-dihydroimidazol-4-yl)propyl]-c-hydroxycarbonimidoyl}-2-methylbutyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid
11-hydroxy-6,7-dimethoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one
11-hydroxy-6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,10,13,15-octaen-12-one
3-hydroxy-6-[2-(1-hydroxypentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2s,3r,4s,5r,6r)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxy}oxan-3-yl]ethanimidic acid
(1r,4e,6r,7s,14s,17r)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-14-ium-14-olate
n-[(2r)-2-hydroxy-2-(4-{[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}phenyl)ethyl]-3-phenylprop-2-enimidic acid
(1s,4s,10s,12r)-12-hydroxy-1-(2-methylbut-3-en-2-yl)-2,8,19-triazapentacyclo[10.7.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-13,15,17-triene-3,9-dione
5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),3(8),4,6,9,14(18),15-heptaene-12,13-dione
6-hydroxy-4,5,6-trimethyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-en-5-yl acetate
1,2,3,10-tetramethoxy-9-hydroxy-4,5,6,6α-dehydro-7-aporhhinone
{"Ingredient_id": "HBIN000553","Ingredient_name": "1,2,3,10-tetramethoxy-9-hydroxy-4,5,6,6\u03b1-dehydro-7-aporhhinone","Alias": "NA","Ingredient_formula": "C20H17NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-14-epicorynoline
{"Ingredient_id": "HBIN001452","Ingredient_name": "(+)-14-epicorynoline","Alias": "NA","Ingredient_formula": "C21H21NO5","Ingredient_Smile": "CC12C(CC3=CC4=C(C=C3C1N(CC5=C2C=CC6=C5OCO6)C)OCO4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6873","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Adlumidine
{"Ingredient_id": "HBIN014725","Ingredient_name": "Adlumidine","Alias": "(6S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one; AKOS015969713; Bio-0307; ST019394; SCHEMBL7913545; adlumidine; (6S)-6-((5S)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxolano[4,5-g]isoquinolin-5- yl))-6-hydro-2H-1,3-dioxoleno[4,5-e]isobenzofuran-8-one; (10S)-10-[(5S)-6-METHYL-2H,5H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL]-3,5,11-TRIOXATRICYCLO[7.3.0.0(2),?]DODECA-1,6,8-TRIEN-12-ONE; LS-70681; XM638185BP; (6S)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one; AC1L3RDP; UNII-XM638185BP; Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3- dioxolo(4,5-g)isoquinolin-5-yl-, (S-(R*,R*))-; ZINC19632769; BG01655478; d-Adlumidine; 550-49-2","Ingredient_formula": "C20H17NO6","Ingredient_Smile": "CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3","Ingredient_weight": "367.35","OB_score": "66.54876495","CAS_id": "550-49-2","SymMap_id": "SMIT03306;SMIT14179","TCMID_id": "642","TCMSP_id": "MOL000780","TCM_ID_id": "7145;20980;24395","PubChem_id": "120734","DrugBank_id": "NA"}
alistonitrine A
{"Ingredient_id": "HBIN015160","Ingredient_name": "alistonitrine A","Alias": "NA","Ingredient_formula": "C21H25N3O3","Ingredient_Smile": "CC1C2(O1)C3CC4C56C(C3C(=O)OC)(CCN5C2N4C)C7=CC=CC=C7N6","Ingredient_weight": "367.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35060","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102222299","DrugBank_id": "NA"}
