Exact Mass: 326.1242
Exact Mass Matches: 326.1242
Found 500 metabolites which its exact mass value is equals to given mass value 326.1242,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
MethylophiopogononeB
Methylophiopogonone B is a homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (4-methoxyphenyl)methyl group at position 3 respectively. It has a role as a plant metabolite. It is a homoisoflavonoid, a member of resorcinols and a monomethoxybenzene. Methylophiopogonone B is a natural product found in Ophiopogon japonicus with data available. A homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (4-methoxyphenyl)methyl group at position 3 respectively. Methylophiopogonone B, a homoisoflavonoidal compound that could be isolated from Ophiopogonis Tiber, could scavenge ?OH and H2O2 in vitro to a certain extent[1][2]. Methylophiopogonone B, a homoisoflavonoidal compound that could be isolated from Ophiopogonis Tiber, could scavenge ?OH and H2O2 in vitro to a certain extent[1][2].
Neohesperidoside
Neohesperidoside, also known as 2-O-alpha-L-rhamnopyranosyl-D-glucopyranose or alpha-L-rhap-(1->2)-beta-D-glcp, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Neohesperidoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Neohesperidoside can be found in lemon, which makes neohesperidoside a potential biomarker for the consumption of this food product. Neohesperidoside is the disaccharide which is present in some flavonoids. It can be found in species of typha, in species of typha angustifolia . Alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose is a disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond. It has a role as a metabolite. 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose is a natural product found in Trypanosoma brucei with data available.
Clozapine
A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent. [PubChem] N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 2841 CONFIDENCE standard compound; INTERNAL_ID 1600 Clozapine (HF 1854) is an antipsychotic used for the research of schizophrenia. Clozapine has high affinity for a number of neuroreceptors. Clozapine is a potent antagonist of dopamine D2 with a Ki of 75 nM. Clozapine inhibits the muscarinic M1 receptor and serotonin 5HT2A receptor with Kis of 9.5 nM and 4 nM, respectively[1][2][3]. Clozapine is also a potent and selective agonist at the muscarinic M4 receptor (EC50=11 nM)[4].
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. 6,7-Dimethyl-8-(1-D-ribityl)lumazine is an extremely weak basic (essentially neutral) compound (based on its pKa). 6,7-Dimethyl-8-(1-D-ribityl)lumazine exists in all living organisms, ranging from bacteria to humans. In humans, 6,7-dimethyl-8-(1-D-ribityl)lumazine is involved in riboflavin metabolism. Outside of the human body, 6,7-dimethyl-8-(1-D-ribityl)lumazine has been detected, but not quantified in, several different foods, such as quinoa, arrowhead, conchs, watermelons, and Elliotts blueberries. This could make 6,7-dimethyl-8-(1-D-ribityl)lumazine a potential biomarker for the consumption of these foods. 6,7-Dimethyl-8-(1-D-ribityl)lumazine is an intermediate in riboflavin metabolism. 6,7-Dimethyl-8-(1-D-ribityl)lumazine is the second to last step in the synthesis of ribitol and is converted from 4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine via the enzyme riboflavin synthase beta chain. It is then converted into riboflavin via the enzyme riboflavin synthase alpha chain (EC 2.5.1.9). 6,7-Dimethyl-8-(1-D-ribityl)lumazine is an intermediate in riboflavin metabolism. 6,7-Dimethyl-8-(1-D-ribityl)lumazine is the second to last step in the synthesis of ribitol and is converted from 4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine via the enzyme riboflavin synthase beta chain. It is then
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate
3-O-alpha-D-glucopyranosyl-L-rhamnopyranose
Rutinose
Rutinose, also known as 6-O-(6-deoxy-alpha-L-mannopyranosyl)-D-glucose or (α-rhamnopyranosyl-β-glucopyranose, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Rutinose is soluble (in water) and a very weakly acidic compound (based on its pKa). Rutinose can be found in capers, which makes rutinose a potential biomarker for the consumption of this food product.
Moracin P
Moracin P is a member of benzofurans. Moracin P is a natural product found in Morus alba with data available. Moracin P is found in fruits. Moracin P is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). Moracin P is found in mulberry and fruits. Moracin P is a 2-arylbenzofuran isolated from the Mori Cortex Radicis. Moracin P exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin P reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin P has neuroprotective and anti-inflammatory effects[1][2][3]. Moracin P is a 2-arylbenzofuran isolated from the Mori Cortex Radicis. Moracin P exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin P reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin P has neuroprotective and anti-inflammatory effects[1][2][3].
Moracin O
Moracin O is a member of benzofurans. Moracin O is a natural product found in Morus cathayana, Morus lhou, and Morus alba with data available. Moracin O is found in fruits. Moracin O is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). Moracin O is found in fruits. Moracin O is a 2-arylbenzofuran isolated from the Morus alba Linn. . Moracin O exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin O reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin O has neuroprotective and anti-inflammatory effects[1][2][3]. Moracin O is a 2-arylbenzofuran isolated from the Morus alba Linn. . Moracin O exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin O reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin O has neuroprotective and anti-inflammatory effects[1][2][3]. Moracin O is a 2-arylbenzofuran isolated from the Morus alba Linn. . Moracin O exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin O reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin O has neuroprotective and anti-inflammatory effects[1][2][3].
Citrusin C
Constituent of leaves of white flowered perilla Perilla frutescens variety forma viridis and the leaves of Dalmatian sage (Salvia officinalis). Flavouring agent. Citrusin C is found in lemon, herbs and spices, and common sage. Citrusin C is found in common sage. Citrusin C is a constituent of leaves of white flowered perilla Perilla frutescens var. forma viridis and the leaves of Dalmatian sage (Salvia officinalis). Citrusin C is a flavouring agent.
Neohesperidose
Neohesperidose is found in citrus. Neohesperidose occurs in plants as disaccharide component of
1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside
1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4-glucoside is found in herbs and spices. 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4-glucoside is a constituent of fennel (Foeniculum vulgare) Constituent of fennel (Foeniculum vulgare). 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4-glucoside is found in herbs and spices.
1,6-Dihydroxy-3-methoxy-2-prenylxanthone
1,6-Dihydroxy-3-methoxy-2-prenylxanthone is found in fruits. 1,6-Dihydroxy-3-methoxy-2-prenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1,6-Dihydroxy-3-methoxy-2-prenylxanthone is found in fruits.
1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one
1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one is found in herbs and spices. 1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one is a constituent of the rhizomes of Curcuma domestica (turmeric). Constituent of the rhizomes of Curcuma domestica (turmeric). 1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one is found in turmeric and herbs and spices.
4-(4-Hydroxyphenyl)-2-butanone glucoside
4-(4-Hydroxyphenyl)-2-butanone glucoside is found in fruits. 4-(4-Hydroxyphenyl)-2-butanone glucoside is present in rhubarb and raspberrie Present in rhubarb and raspberries. 4-(4-Hydroxyphenyl)-2-butanone glucoside is found in fruits and green vegetables. Raspberry ketone glucoside is a natural product in raspberry fruit. Raspberry ketone glucosidev has the inhibitory effect on the melanin synthesis[1]. Raspberry ketone glucoside is a natural product in raspberry fruit. Raspberry ketone glucosidev has the inhibitory effect on the melanin synthesis[1].
omega-Hydroxymoracin N
omega-Hydroxymoracin N is found in fruits. omega-Hydroxymoracin N is a constituent of the leaves of Morus alba (white mulberry) (famine food). Constituent of the leaves of Morus alba (white mulberry) (famine food). omega-Hydroxymoracin N is found in fruits.
1,5-Dihydroxy-3-methoxy-2-prenylxanthone
1,5-Dihydroxy-3-methoxy-2-prenylxanthone is found in fruits. 1,5-Dihydroxy-3-methoxy-2-prenylxanthone is obtained from fruit hulls of Garcinia mangostana (mangosteen
1,7-Dihydroxy-3-methoxy-2-prenylxanthone
1,7-Dihydroxy-3-methoxy-2-prenylxanthone is found in fruits. 1,7-Dihydroxy-3-methoxy-2-prenylxanthone is isolated from fruit hulls of Garcinia mangostana (mangosteen
2-O-a-L-Fucopyranosyl-galactose
2-O-a-L-Fucopyranosyl-galactose is a disaccharide found in human breast milk that acts as an acceptor for N-acetylgalactosamine via alpha-galactosyltransferase activity (PMID:15158661).
3-O-a-L-Fucopyranosyl-D-glucose
3-O-alpha-L-Fucopyranosyl-D-glucose is a fucosylated oligosaccharide specific to human milk that form part of the innate immune system. contributing to the protection by breast-feeding of the newborn against enteric diseases through the mechanism of preventing the attachment of pathogenic bacteria to the duodenual epithelium. (PMID 1579031) [HMDB] 3-O-alpha-L-Fucopyranosyl-D-glucose is a fucosylated oligosaccharide specific to human milk that form part of the innate immune system. contributing to the protection by breast-feeding of the newborn against enteric diseases through the mechanism of preventing the attachment of pathogenic bacteria to the duodenual epithelium. (PMID 1579031).
6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose
6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose is found in brassicas. 6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose is isolated from horseradish and peas which had been fed 2-deoxyglucose. Isolated from horseradish and peas which had been fed 2-deoxyglucose. 6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose is found in brassicas and pulses.
Hydroxyhexamide
Hydroxyhexamide is a metabolite of acetohexamide. Acetohexamide (trade name Dymelor) is a first-generation sulfonylurea medication used to treat diabetes mellitus type 2, particularly in people whose diabetes cannot be controlled by diet alone. (Wikipedia)
(1E,4E)-1,5-Bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
3-Hydroxydesloratadine
N-(N-Acetylmethionyl)dopamine
3-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo[2,3-b]pyridine
6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose
Aspirin eugenol ester
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Etomoxir
D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors
(2R,3R,4S,5R)-2-(Hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid
Ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Eugenyl glucoside
Eugenyl glucoside, also known as eugenyl beta-D-glucopyranoside, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Eugenyl glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Eugenyl glucoside can be found in lemon balm, which makes eugenyl glucoside a potential biomarker for the consumption of this food product.
Oristar RKG
Raspberryketone glucoside is a natural product found in Rheum palmatum, Artemisia santolinifolia, and other organisms with data available. Raspberry ketone glucoside is a natural product in raspberry fruit. Raspberry ketone glucosidev has the inhibitory effect on the melanin synthesis[1]. Raspberry ketone glucoside is a natural product in raspberry fruit. Raspberry ketone glucosidev has the inhibitory effect on the melanin synthesis[1].
Eucalyptin
Eucalyptin is a natural product found in Myrcia citrifolia, Myrcia glabra, and other organisms with data available.
1,5-Dihydroxy-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-one
3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione
clozapine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent CONFIDENCE standard compound; INTERNAL_ID 8610 CONFIDENCE standard compound; INTERNAL_ID 1600 Clozapine (HF 1854) is an antipsychotic used for the research of schizophrenia. Clozapine has high affinity for a number of neuroreceptors. Clozapine is a potent antagonist of dopamine D2 with a Ki of 75 nM. Clozapine inhibits the muscarinic M1 receptor and serotonin 5HT2A receptor with Kis of 9.5 nM and 4 nM, respectively[1][2][3]. Clozapine is also a potent and selective agonist at the muscarinic M4 receptor (EC50=11 nM)[4].
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate
1-Methoxy-2,5-dihydroxy-4-(1,1-dimethyl-2-propenyl)xanthone
Me glycoside-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-mannose
Me glycoside-beta-Pyranose-2-O-beta-D-Glucopyranosyl-L-arabinose
Me glycoside-alpha-alpha-Furanose-2-O-beta-D-Glucopyranosyl-L-arabinose
2-(Butoxymethyl)-1,3-dihydroxyanthracene-9,10-dione
(E)-1-(2-hydroxy-5-methoxyphenyl)propene beta-D-glucopyranoside
beta-D-glucosyl isoeugenol|isoeugenol beta-D-glucopyranoside|trans-isoeugenyl beta-glucoside
1,6-(2-Oxoindoline-3,3-diyltrimethylene)-2-methyl-4(1H)-oxo-5,6-dihydronicotinic acid
1,2-Diacetoxy-1-(2,4,5-trimethoxy-phenyl)-propan|1,2-diacetoxy-1-(2,4,5-trimethoxy-phenyl)-propane|1-(2,4,5-Trimethoxyphenyl)-1,2-diacetoxypropane|2,4,5,-Tri-Me ether,1,2-di-Ac-1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol
O1-((S)-1-phenyl-butyl)-beta-D-glucopyranuronic acid|O1-((S)-1-Phenyl-butyl)-beta-D-glucopyranuronsaeure
2-(3-Methoxy-4-hydroxyphenethyl)-6-methoxychromone
3,4-dideoxy-6-O-alpha-D-galactopyranosyl-D-erythro-hexonic acid
methyl beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|Methyl ??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
3-methoxy-4-[(2S,3R)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol
(3R,4R)-4,8-dihydroxy-6,7-dimethoxy-3-((R)-2-hydroxypentyl)isochroman-1-one|fusarentin
3,4-dihydro-7-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-3,5-diol|wittifuran W
4-Methylbenzenesulfonyl-(4R, 6S)-1, 7-Dioxaspiro[5.5]undecan-4-ol
deca-9-en-4,6-diyne-1,8-diol 8-O-beta-D-glucopyranoside
deca-9-en-4,6-diyne-1,8-diol 1-O-beta-D-glucopyranoside
1,5-dihydroxy-3-methoxy-4-(3-methylbut-2-enyl)xanthone
(4E,6E)-1,7-bis(3,4-dihydroxyphenyl)hepta-4,6-dien-3-one|1,7-bis(3,4-dihydroxyphenyl)hepta-4E,6E-dien-3-one
7-((2E)-4-(4,5-dihydro-3-methylene-2-oxo-5-furanyl)-3-methylbut-2-enyloxy)coumarin|clauslactone E|excavarin-A
3-(3-Hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-furo[2,3-h]-1-benzopyran
(E)-1-(2-Hydroxy-5-methoxyphenyl)propene ??-D-glucopyranoside
3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
3-Deoxybidensyneoside B|3-deoxybidensyneoside C|8(E)-8-decene-4,6-diyne-1,10-diol 1-O-beta-D-glucopyranoside
2,3-Dihydro-3-(3,4-Dimethoxyphenyl)-2-methyl-5,6-methylenedioxyindenone
2-deoxysucrose|2-Desoxy-alpha-D-glucopyranosyl-beta-D-fructofuranosid|2G-deoxysucrose
1,2:3,5-Di-O-benzoyidene(second isomer)-alpha-D-Furanose-Xylose|1,2:3,5-Di-O-benzoyidene-alpha-D-Furanose-Xylose
[4-(7-acetyloxy-3,4-dihydro-2H-chromen-3-yl)phenyl] acetate
6beta-acetoxy-7alpha-chloroconfertifoline|7alpha-chloro-dihydrocinnamosmolide
(2S,3S,5S,Z)-5-hydroxy-7-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-6-ene-2,3-diyl diacetate|synparvolide B
2-O-alpha-D-Galactopyranosyl-L-rhamnose|2-O-beta-D-Galactopyranosyl-L-rhamnose|2-O-beta-D-Glucopyranosyl-L-rhamnose|alpha-Pryanose-form-2-O-alpha-D-Galactopyranosyl-L-rhamnose
1,8-Dihydroxy-3-[(3-methyl-2-butenyl)oxy]-6-methyl-9H-xanthene-9-one
scriptaid
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
C16H22O7_(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate
C19H18O5_1-[2-(1,3-Benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]-1,2-propanediol
7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_major
7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one_major
1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol_15.2\\%
1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propane-1,2-diol_major
5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-6-ol, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
5-Hydroxy Desloratadine
2H-Benzo[5,6]cyclohepta[1,2-b]pyridin-2-one, 8-chloro-1,5,6,11-tetrahydro-11-(4-piperidinylidene)-
Gly Gly Gly His
Gly Gly His Gly
Gly His Gly Gly
His Gly Gly Gly
1,5-Dihydroxy-3-methoxy-2-prenylxanthone
1,7-Dihydroxy-3-methoxy-2-prenylxanthone
1,6-Dihydroxy-3-methoxy-2-prenylxanthone
Egonol
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a methoxy group at position 7, a 1,3-benzodioxol-5-yl group at position 2 and a 3-hydroxypropyl group at position 5. It has been isolated from Styrax agrestis.
Moracin O
Moracin O is a 2-arylbenzofuran isolated from the Morus alba Linn. . Moracin O exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin O reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin O has neuroprotective and anti-inflammatory effects[1][2][3]. Moracin O is a 2-arylbenzofuran isolated from the Morus alba Linn. . Moracin O exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin O reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin O has neuroprotective and anti-inflammatory effects[1][2][3]. Moracin O is a 2-arylbenzofuran isolated from the Morus alba Linn. . Moracin O exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin O reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin O has neuroprotective and anti-inflammatory effects[1][2][3].
Moracin P
Moracin P is a 2-arylbenzofuran isolated from the Mori Cortex Radicis. Moracin P exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin P reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin P has neuroprotective and anti-inflammatory effects[1][2][3]. Moracin P is a 2-arylbenzofuran isolated from the Mori Cortex Radicis. Moracin P exhibits potent in vitro inhibitory activity against hypoxia-inducible factor (HIF-1). Moracin P reduces oxygen-glucose deprivation (OGD)-induced reactive oxygen species (ROS) production. Moracin P has neuroprotective and anti-inflammatory effects[1][2][3].
1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one
W-Hydroxymoracin N
ethyl 5-amino-6-nitro-7-phenyl-2,3-dihydro-1H-indene-4-carboxylate
4-((6,7-DIMETHOXYQUINOLIN-4-YL)OXY)-2-METHOXYANILINE
4-METHYL-2-[1-(TERT-BUTOXYCARBONYL)PIPERID-4-YL]-1,3-THIAZOLE-5-CARBOXYLIC ACID
7,7-dimethyl-3-[(3-nitrophenyl)methyl]-6,8-dihydro-1H-quinoline-2,5-dione
[7-(4-METHYLPIPERAZIN-1-YL)THIAZOLO[5,4-D]PYRIMIDIN-2-YL]PHENYLAMINE
L-745870
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants L-745870 is a potent, selective, brain-penetrant and orally active dopamine D4 receptor antagonist with a Ki of 0.43 nM. L-745870 shows weaker affinity for D2 (Ki of 960 nM) and D3 (Ki of 2300 nM) receptors, and exhibits moderate affinity for 5-HT2 receptors, sigma sites and α-adrenoceptors[1][2][3].
(-)-2,3-bis[(2R,5R)-2,5-dimethylphospholanyl]maleic anhydride
Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]-benzopyrano[2,3-b]pyridine-3-carboxylate
4-Benzenesulfonyl-piperazine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-(2-fluoro-6-nitrophenoxy)pyrrolidine-1-carboxylate
Etomoxir
D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor Etomoxir ((R)-(+)-Etomoxir) is an irreversible inhibitor of carnitine palmitoyltransferase 1a (CPT-1a), inhibits fatty acid oxidation (FAO) through CPT-1a and inhibits palmitate β-oxidation in human, rat and guinea pig.
3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid 6-tert-butyl ester 3-ethyl ester
ethyl 6-amino-5-cyano-4-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-4h-pyran-3-carboxylate
N-[4-(3-oxo-4-Morpholinyl)phenyl]carbaMic acid phenylMethyl ester
1-hexyl-2,3-dimethylimidazolium hexafluorophosphate
2-(4-Chloro-5-(cyclopropylmethoxy)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-[1-(2,3-DIMETHOXY-PHENYL)-2-NITRO-ETHYL]-1H-INDOLE
Polyacrylamide, kationisch mit Kationenstrke <=15 und einem Restmonomergehalt <0,1
6-ACETHYOXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE
Trimethoprim Hydrochloride
C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor
Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels Ro15-4513, imidazobenzodiazepinone derivative, is a partial inverse agonist of benzodiazepine receptor (BZR)[1]. Ro15-4513 is a potent ethanol antagonist[2]. Ro15-4513 has anti-anxiety effect[3]. Ro15-4513 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
6-[(3,4,5-Trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
2-O-(6-deoxy-alpha-L-galactopyranosyl)-D-galactopyranose
2-(1,3-Benzodioxole-5-yl)-3-methyl-5-(1,2-dihydroxypropyl)benzofuran
4-O-(beta-D-Galactopyranosyl)-alpha-L-rhamnopyranose
(1E,4E)-1,5-Bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
5-[(Z)-[5-[(E)-[5-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2-carbaldehyde
(2R,3R,4S,5R)-2-(Hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
alpha-L-rhamnopyranosyl-(1->2)-alpha-D-galactopyranose
2-(2-Furanyl)-3-(4-methylphenyl)imidazo[4,5-b]quinoxaline
6-(4-hydroxy-3-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
2-Amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester
(2Z)-N-(3-chlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide
2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethanesulfonic acid
[3)-alpha-L-Araf-(1->3)-6d-alpha-L-gulo-Hepp-(1->]n
1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
2-(3-Benzoylphenyl)propionic acid trimethylsilyl ester
(1-Acetyloxy-3-phosphonooxypropan-2-yl) heptanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) pentanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) hexanoate
Dibenzo(D,F)-1,1,2,2,3,3-hexamethyl-1,2,3-trisilacyclohepta-4,6-diene
7-((E-3,7-Dimethyl-7-hydroxy-4-oxo-5-YN-2-octenyl)oxy)-2H-1-benzopyran-2-one
Neohesperidose
Alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose is a disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond. It has a role as a metabolite. 2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose is a natural product found in Trypanosoma brucei with data available. A disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond.
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose
Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate
D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors
alpha-L-Fucp-(1->3)-Glcp
A disaccharide that is D-glycopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside.
alpha-L-Fucp-(1->6)-beta-D-Galp
An alpha-L-Fucp-(1->6)-D-Galp in which the carbon bearing the anomeric hydroxy group has beta configuration.
alpha-L-Fucp-(1->3)-alpha-D-Glcp
An alpha-L-Fucp-(1->3)-Glcp in which the carbon bearing the anomeric hydroxy group has alpha configuration.
alpha-L-Fucp-(1->2)-beta-D-Glcp
An alpha-L-Fucp-(1->2)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration.
alpha-L-Fucp-(1->2)-alpha-D-Glcp
An alpha-L-Fucp-(1->2)-D-Glcp in which the carbon bearing the anomeric hydroxy group has alpha configuration.
cyclo(L-tyrosyl-L-tyrosyl)
A cyclo(tyrosyl-tyrosyl) in which both stereocentres have L-configuration. Synthesized by Mycobacterium tuberculosis.
alpha-L-Fucp-(1->2)-D-Glcp
A disaccharide that is D-glucopyranose in which the hydroxy group at position 2 has been converted into the corresponding alpha-L-fucopyranoside.
6,7-Dimethyl-8-(1-D-ribityl)lumazine
The pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-D-ribityl group on N-8.
FAUC 213
FAUC 213 is an orally active and highly selective dopamine D4 receptor complete antagonist with a Ki of 2.2 nM for hD4.4. FAUC 213 has less activity on D2 and D3 receptors (Kis of 3.4 μM, 5.3 μM for hD2, hD3, respectively). FAUC 213 can cross the blood-brain barrier (BBB). FAUC 213 exhibits atypical antipsychotic characteristic[1].
(2r,3r,4r,5s,6s)-6-methyl-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,5-triol
7-({3-[(4-methylidene-5-oxooxolan-2-yl)methyl]but-2-en-1-yl}oxy)chromen-2-one
1,5,6-trihydroxy-2-isopropyl-7,8-dimethylphenanthrene-3,4-dione
7-{[(2e)-3-[(4-methyl-5-oxo-2h-furan-2-yl)methyl]but-2-en-1-yl]oxy}chromen-2-one
3-methoxy-4-[(2s,3r)-3-methyl-7-(prop-1-yn-1-yl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
(6r,8s,9s,9as,9br)-6,9-dihydroxy-3-(hydroxymethyl)-9-methyl-2-oxo-4h,5h,5ah,6h,7h,8h,9ah,9bh-naphtho[1,2-b]furan-8-yl acetate
2-(acetyloxy)-5-hydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)hept-6-en-3-yl acetate
(3s,6s)-3,6-bis[(4-hydroxyphenyl)methyl]-3,6-dihydropyrazine-2,5-diol
(4s,5s,5as,9as)-4-chloro-6,6,9a-trimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl acetate
4-hydroxy-3-[4-hydroxy-1-(4-hydroxy-5-methyl-2-oxo-5h-furan-3-yl)hexyl]-5-methyl-5h-furan-2-one
(2r,3r,4s,5s,6r)-2-{[(3s,8e)-3-hydroxydec-8-en-4,6-diyn-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(4s,6r)-6,7-dihydroxy-4,5,5,9-tetramethyltetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,7,9,12(15)-tetraene-11,13,14-trione
15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
(2s,3s,4as,6r,7s,8s,8as)-6-(hydroxymethyl)-2-(4-methoxyphenyl)-3-methyl-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
7-{[(2e)-3-{[(2r)-4-methylidene-5-oxooxolan-2-yl]methyl}but-2-en-1-yl]oxy}chromen-2-one
5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethylchromen-4-one
(4r,7z,10s,13z,15r,16s)-15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
7-{[(2e)-3-{[(2r)-4-methyl-5-oxo-2h-furan-2-yl]methyl}but-2-en-1-yl]oxy}chromen-2-one
5-[(11r)-11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol
4-hydroxy-6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridin-2-one
2-[(3-hydroxydec-8-en-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
10-hydroxy-12-(3-hydroxypropyl)-10-methyl-14-oxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15),12-pentaene-5,16-dione
1-(acetyloxy)-1-(2,4,5-trimethoxyphenyl)propan-2-yl acetate
2,5-dimethoxy-4-hydroxy-[2'',3'':7,8]-furano-flavan
{"Ingredient_id": "HBIN004639","Ingredient_name": "2,5-dimethoxy-4-hydroxy-[2'',3'':7,8]-furano-flavan","Alias": "NA","Ingredient_formula": "C19H18O5","Ingredient_Smile": "COC1=C2C(CC(OC2=C3C=COC3=C1)(C4=CC=CC=C4)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6241","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,6-di(4-hydroxy) benzyl-2,5-dioxopiperazine
{"Ingredient_id": "HBIN007707","Ingredient_name": "3,6-di(4-hydroxy) benzyl-2,5-dioxopiperazine","Alias": "3,6-di(4-hydroxy)benzyl-2,5-dioxopiperazine","Ingredient_formula": "C18H18N2O4","Ingredient_Smile": "C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15102","TCMID_id": "5769","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-deoxybidensyneoside b
{"Ingredient_id": "HBIN008430","Ingredient_name": "3-deoxybidensyneoside b","Alias": "NA","Ingredient_formula": "C16H22O7","Ingredient_Smile": "C(CC#CC#CC=CCO)COC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5154","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxy-4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-ben-zenediol
{"Ingredient_id": "HBIN008789","Ingredient_name": "3-methoxy-4-[(2s,3r)-3-methyl-7-(1-propynyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-ben-zenediol","Alias": "NA","Ingredient_formula": "C19H18O5","Ingredient_Smile": "CC#CC1=CC2=C(C=C1)OC(C(O2)C3=C(C(=C(C=C3)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14028","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-o-(-l-fucopyranosyl-myo-inositol
{"Ingredient_id": "HBIN010773","Ingredient_name": "4-o-(-l-fucopyranosyl-myo-inositol","Alias": "NA","Ingredient_formula": "C12H22O10","Ingredient_Smile": "NA","Ingredient_weight": "326.3","OB_score": "NA","CAS_id": "99044-50-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7765","PubChem_id": "NA","DrugBank_id": "NA"}
7,12-dihydroxy-20-nor-1,5(10),6,8,12-abietapentaene-3,11,14-trione
{"Ingredient_id": "HBIN012868","Ingredient_name": "7,12-dihydroxy-20-nor-1,5(10),6,8,12-abietapentaene-3,11,14-trione","Alias": "NA","Ingredient_formula": "C19H18O5","Ingredient_Smile": "NA","Ingredient_weight": "326.348","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7495","PubChem_id": "NA","DrugBank_id": "NA"}
ailanthoidol
{"Ingredient_id": "HBIN014941","Ingredient_name": "ailanthoidol","Alias": "NA","Ingredient_formula": "C19H18O5","Ingredient_Smile": "COC1=CC(=CC2=C1OC(=C2)C3=CC(=C(C=C3)O)OC)C=CCO","Ingredient_weight": "326.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "776","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316929","DrugBank_id": "NA"}
anticancer benzofuran pmv70p691-64
{"Ingredient_id": "HBIN016313","Ingredient_name": "anticancer benzofuran pmv70p691-64","Alias": "NA","Ingredient_formula": "C19H18O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1388","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bidensyneoside a1
{"Ingredient_id": "HBIN018478","Ingredient_name": "bidensyneoside a1","Alias": "NA","Ingredient_formula": "C16H22O7","Ingredient_Smile": "CC=CC#CC#CC(CCOC1C(C(C(C(O1)CO)O)O)O)O","Ingredient_weight": "326.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2359","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10903496","DrugBank_id": "NA"}
bidensyneoside a2
{"Ingredient_id": "HBIN018479","Ingredient_name": "bidensyneoside a2","Alias": "NA","Ingredient_formula": "C16H22O7","Ingredient_Smile": "C(CC#CC#CC=CCO)COC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
