Exact Mass: 326.1379
Exact Mass Matches: 326.1379
Found 500 metabolites which its exact mass value is equals to given mass value 326.1379,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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].
LICARIN A
(-)-Licarin A is a natural product found in Magnolia dodecapetala, Magnolia kachirachirai, and other organisms with data available. Dehydrodiisoeugenol is a natural product found in Myristica fragrans with data available. Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2]. Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2]. Licarin A ((+)-Licarin A), a neolignan, significantly and dose-dependently reduces TNF-α production (IC50=12.6 μM) in dinitrophenyl-human serum albumin (DNP-HSA)-stimulated RBL-2H3 cells. Anti-allergic effects. Licarin A reduces TNF-α and PGD2 production, and COX-2 expression[1]. Licarin A ((+)-Licarin A), a neolignan, significantly and dose-dependently reduces TNF-α production (IC50=12.6 μM) in dinitrophenyl-human serum albumin (DNP-HSA)-stimulated RBL-2H3 cells. Anti-allergic effects. Licarin A reduces TNF-α and PGD2 production, and COX-2 expression[1].
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate
Meptin
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Same as: D02404
Acepromazine
Acepromazine is only found in individuals that have used or taken this drug. It is one of the phenothiazine derivative psychotropic drugs, used little in humans, however frequently in animals as a sedative and antiemetic.Acepromazine acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects). N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Aceprometazine
Aceprometazine (INN) is a prescription drug with neuroleptic and anti-histamine properties. It is not widely prescribed. It may be used in combination with meprobamate for the treatment of sleep disorders. This combination is available in France under the trade name Mepronizine. [Wikipedia] 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
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.
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.
5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone
5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone is found in herbs and spices. 5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone is a constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. Constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. 5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone is found in herbs and spices.
Gingerenone C
Constituent of Zingiber officinale (ginger). Gingerenone C is found in herbs and spices and ginger. Gingerenone C is found in ginger. Gingerenone C is a constituent of Zingiber officinale (ginger)
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is from Alpinia officinarum (lesser galangal). From Alpinia officinarum (lesser galangal). 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is found in 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].
(+)-Galeon
(-)-Galeon is found in herbs and spices. (-)-Galeon is a constituent of Myrica gale (bog myrtle)
1,2-Dihydrodehydroguaiaretic acid
1,2-Dihydrodehydroguaiaretic acid is found in herbs and spices. 1,2-Dihydrodehydroguaiaretic acid is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). 1,2-Dihydrodehydroguaiaretic acid is found in herbs and spices.
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)
N-(N-Acetylmethionyl)dopamine
3-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo[2,3-b]pyridine
Dehydrodiisoeugenol
Etomoxir
D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors
(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid
Nipradilol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Poncitrin
Poncitrin is a member of the class of compounds known as linear pyranocoumarins. Linear pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Poncitrin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Poncitrin can be found in sweet orange, which makes poncitrin a potential biomarker for the consumption of this food product.
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].
Dehydrodiisoeugenol
Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2]. Dehydrodiisoeugenol is isolated from Myristica fragrans Houtt, shows anti-inflammatory and anti-bacterial actions[1]. Dehydrodiisoeugenol inhibits LPS- stimulated NF-κB activation and cyclooxygenase (COX)-2 gene expression in murine macrophages[2].
2-Carboxy-3,5-dihydroxy-4-(3-methyl-2-butenyl)bibenzyl
Acutifolin A
Broussinol
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
4-[(2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-(prop-2-enyl)benzofuran-2-yl]-2-methoxyphenol|isodihydrocarinatidin
(E)-1-(2-hydroxy-5-methoxyphenyl)propene beta-D-glucopyranoside
Triptonolide
A tetracyclic diterpenoid with formula C20H22O4, originally isolated from Tripterygium wilfordii.
beta-D-glucosyl isoeugenol|isoeugenol beta-D-glucopyranoside|trans-isoeugenyl beta-glucoside
Rac-(2S,3S)-5-allyl-6-hydroxy-2-(3,4-dimethoxyphenyl)-3-methyl-2,3-dihydrobenzofuran
7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3,5-heptadione|7-(4-hydroxy-3methoxyphenyl)-1-phenyl-3,5-heptadione
(4E,6R)-6-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one|alpinoid B
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,7-dihydroxynaphthalene-1,4-dione
1,6-(2-Oxoindoline-3,3-diyltrimethylene)-2-methyl-4(1H)-oxo-5,6-dihydronicotinic acid
1,7,8,12b-tetrahydro-2,2,4-trimethyl-2h-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,10,11-triol
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
1,3-dihydroxy-3-methyl-3-methyl-3-prenyl-2,3-dihydronaphto[1,2-b]oxepin-4(1H)-one|aggregatin D
O1-((S)-1-phenyl-butyl)-beta-D-glucopyranuronic acid|O1-((S)-1-Phenyl-butyl)-beta-D-glucopyranuronsaeure
1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
(3R,4R)-4,8-dihydroxy-6,7-dimethoxy-3-((R)-2-hydroxypentyl)isochroman-1-one|fusarentin
3-Geranyl-4-hydroxy-5-cumarincarbaldehyd|Piloselloidal
4-[(2S)-3,4-dihydro-7-hydroxy-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-yl]-1,3-benzenediol|Anticancer Flavonoid PMV70P691-013|morusyunnansin F
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
(3S)-Methoxy-1,7-bis(4-hydroxyphenyl)-6E-hepten-5-one
(7alpha,8beta)-4,4-dihydroxy-3,3-dimethoxy-6,7-cyclolign-7-ene|(7R,8S)-4,5-dihydroxy-8,8-dimethyl-3,4-dimethoxy-2,7-cyclolignan-7-ene
4-[(E,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-enyl]phenol
2,4,5-trihydroxy-3-methoxy-4-(gamma,gamma-dimethylallyl)stilbene|artolacuchin
(E)-4-(3-methyl-2-buten-1-yl)-3,3,5-trihydroxy-4-methoxystilbene
3,5,3-trihydroxy-4-methoxy-5-isopent-2-enylstilbene|MIP
(E)-3-(3-methyl-2-butenyloxy)-4,5-dihydroxy-3-methoxystilbene|E-1-[5-hydroxy-3-(3-methylbut-2-enyloxy)phenyl]-2-[4-hydroxy-3-methoxyphenyl]ethene
(E)-2-(3-methyl-2-buten-1-yl)-3,4,5-trihydroxy-3-methoxystilbene
4,4-diallyl-5,5-dimethoxy-[1,1-biphenyl]-2,2-diol|biseugenol A
5-hydroxy-2,8,8-trimethyl-6-(3-methyl-but-2-enyl)-8H-pyrano[2,3-f]chromen-4-one|6-(3,3-dimethylallyl)alloptaeroxylin|6-(3-methylbut-2-enyl)allopteroxylin
1-(3-Methyl-2-butenyl)-2-(4-hydroxyphenyl)-5-hydroxybicyclo[3.3.1]nona-6-ene-8,9-dione
Trimethylsilyl [3-methoxy-4-(trimethylsilyloxy)phenyl]acetate
(E)-1-(2-Hydroxy-5-methoxyphenyl)propene ??-D-glucopyranoside
2H,8H-Benzo[1,2-b:5,4-b]dipyran-2-one, 5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-
3-Deoxybidensyneoside B|3-deoxybidensyneoside C|8(E)-8-decene-4,6-diyne-1,10-diol 1-O-beta-D-glucopyranoside
10-(4-hydroxy-4-methylpent-2-enoyl)-13-isopropyl-5-methyl-[1,2]naphthoquinone|8-[(2E)-4-hydroxy-4-methyl-1-oxopent-2-en-1-yl]-7-methyl-3-(1-methylethyl)naphthalen-1,2-dione|prionoid E
7-(3,7-dimethylocta-2,5,7-trienyloxy)-8-methoxycoumarin|schinitrienin
(3R)-3,5-dihydroxy-4-methoxy-3,4-oxo-1,7-diphenyl-1-heptene
Phenol, 2-methoxy-6-(2-methoxy-4-(2-propenyl)phenoxy)-4-(2-propenyl)-
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
scriptaid
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors
ACEPROMAZINE
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
4-[(3S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid
C16H22O7_(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate
C20H22O4_2-Methoxy-4-{(2S,3R)-7-methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid
Aceprometazine
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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid_major
4-amino-2-hydroxy-5-[[1-hydroxy-1-(5-oxo-6-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid_95.8\\%
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_major
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_61.4\\%
[(4E)-7-acetyloxy-6-hydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate_59.2\\%
Gly Gly Gly His
Gly Gly His Gly
Gly His Gly Gly
His Gly Gly Gly
Acetylpromazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
(+)-galeon
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione
1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside
Raspberry ketone glucoside
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].
5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone
(4E)-7-Acetoxy-6-hydroxy-2-methyl-10-oxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-2-butenoate
4-Allyl-2-[1-(1,3-benzodioxol-5-yl)-2-propanyl]-6-methoxyphenol
ethyl 5-amino-6-nitro-7-phenyl-2,3-dihydro-1H-indene-4-carboxylate
1-{2-(Cyclopropylmethoxy)-6-[(4-methoxybenzyl)oxy]phenyl}ethanone
4-((6,7-DIMETHOXYQUINOLIN-4-YL)OXY)-2-METHOXYANILINE
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)PROPANE-2-SULFONAMIDE
4-METHYL-2-[1-(TERT-BUTOXYCARBONYL)PIPERID-4-YL]-1,3-THIAZOLE-5-CARBOXYLIC ACID
4-methoxyphenyl 3,4-o-isopropylidene-beta-d-galactopyranoside
Meptin
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
4-Chloro-5-fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
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].
METHYL 4-(PHENYL-PROPIONYL-AMINO)-PIPERIDINE-4-CARBOXYLATE HCL
Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]-benzopyrano[2,3-b]pyridine-3-carboxylate
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
4-Benzenesulfonyl-piperazine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-(2-fluoro-6-nitrophenoxy)pyrrolidine-1-carboxylate
10-(a-diethylaminopropionyl)-phenothiazi ne hydrochloride (as-139
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.
Glycine,N,N-1,2-ethanediylbis[N-(carboxymethyl)-, ammonium salt (1:2)
2-(Boc-Amino)thiazole-5-boronic acid pinacol ester
2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid 6-tert-butyl ester 3-ethyl ester
8-(2-methoxy-2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one,hydrochloride
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
(1R,4R)-[4-(6-Chloro-pyriMidin-4-ylaMino)-cyclohexyl]-carbaMic acid tert-butyl ester
1-hexyl-2,3-dimethylimidazolium hexafluorophosphate
2-(4-Chloro-5-(cyclopropylmethoxy)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzaldehyde
3-[1-(2,3-DIMETHOXY-PHENYL)-2-NITRO-ETHYL]-1H-INDOLE
Agatharesinol acetonide
A natural product found in Metasequoia glyptostroboides.
(3bR,9bS)-6-hydroxy-9b-methyl-7-(propan-2-yl)-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione
4,9-dimethyl-3-(2H-tetrazol-5-ylmethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
5,5-Diethoxy-4-hydroxy-2-oxopentylphosphonic acid diethyl ester
(3aS,4R,9bR)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
4-(6-{[(1r)-1-(Hydroxymethyl)propyl]amino}imidazo[1,2-B]pyridazin-3-Yl)benzoic Acid
Nipradilol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Lysine acetylsalicylate
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
4-Amino-2-hydroxy-5-[[1-hydroxy-1-(2-oxo-1-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
3-Piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate
(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
A natural product found in Colletotrichum species.
[4-(2-Hydroxyethyl)-1-piperazinyl]-(4-phenylphenyl)methanethione
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
3-(4-Acetylphenyl)-1-(phenylmethyl)-1-propylthiourea
1-Decanoyl-sn-glycero-3-phosphate
A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as decanoyl.
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
1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
1,9,10-Trihydroxy-2-methoxy-6,6-dimethyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-6-ium
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone
(6R,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone
(6S,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(Z)-1-(1-benzofuran-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid
3,4,5-Trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid
(2Z,3Z)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
2-[2,3-Diacetyloxypropoxy(hydroxy)phosphoryl]ethyl-trimethylazanium
2-(3-Benzoylphenyl)propionic acid trimethylsilyl ester
Dibenzo(D,F)-1,1,2,2,3,3-hexamethyl-1,2,3-trisilacyclohepta-4,6-diene
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate
D007004 - Hypoglycemic Agents D004791 - Enzyme Inhibitors
5,5-Diisopropyl-2,2-dimethylbiphenyl-3,3,4,4-tetrone
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one
A diarylheptanoid that is (4E)-4-hepten-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-dione
1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4-glucoside
cyclo(L-tyrosyl-L-tyrosyl)
A cyclo(tyrosyl-tyrosyl) in which both stereocentres have L-configuration. Synthesized by Mycobacterium tuberculosis.
bulbocapnine(1+)
An organic cation that is the conjugate acid of bulbocapnine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Crocetin(2-)
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of crocetin. The major species at pH 7.3.
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].
(9r)-17,19-dioxatetracyclo[12.6.1.1²,⁶.0¹⁶,²⁰]docosa-1(21),2(22),3,5,14,16(20)-hexaene-3,9-diol
7-methoxy-11,11-dimethyl-5h,10h,10ah-benzo[b]fluorene-4b,5,9-triol
8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,7-dihydroxynaphthalene-1,4-dione
6-methoxy-3-(6-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)-3,4-dihydro-2h-1-benzopyran
4-{6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl}-2-methoxyphenol
6-isopropyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-one
5-methyl-4-{2-[(3z,5r)-5-(2-methylprop-1-en-1-yl)oxolan-3-ylidene]ethoxy}chromen-2-one
10-hydroxy-2-isopropyl-3-methoxy-8,8-dimethyl-7h-phenanthrene-1,9-dione
(4r,7e,9r,10s,13e,16s)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
7-ethyl-3,8,9-trihydroxy-2,4,4,6-tetramethylanthracen-1-one
(1r,12s)-16-hydroxy-15-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
(4e,6r)-6-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
(1r)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-2,4,6,10,12,14(18)-hexaene-5,6,12-triol
(12s)-15-hydroxy-16-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
4-[(3s)-3-[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-en-1-yl]phenol
(6r,7s,8s)-8-(2h-1,3-benzodioxol-5-yl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
(4s,7e,10s,13e,15r,16s)-15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
4-[(3s)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl (2e,6z)-deca-2,6-dien-4-ynoate
(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-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)-3-(3-methylbut-2-en-1-yl)benzene-1,2-diol
(4br,5r,9ar,10as)-5,9a-dihydroxy-7-methoxy-11,11-dimethyl-4bh,5h,10h,10ah-cyclohexa[b]fluoren-9-one
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
3-hydroxy-5-[(1z)-3-hydroxy-4-methylpenta-1,3-dien-1-yl]-2-isopropyl-6-methylnaphthalene-1,4-dione
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
(2s,3s)-2-(3,4-dimethoxyphenyl)-3-methyl-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-ol
(1s)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-2,4,6,10,12,14(18)-hexaene-4,5,12-triol
(4r,7z,10s,13z,15r,16s)-15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
3-[3-(7-butyl-6-hydroxy-4-methyl-6,7-dihydro-1,5,2,3-dioxadiazepin-2-yl)-3-oxopropyl]-5h-furan-2-one
2-[(3-hydroxydec-8-en-4,6-diyn-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
16-hydroxy-15-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-1-ium
4-[(2r)-7-hydroxy-3,4-dihydro-2h-1-benzopyran-2-yl]-3-(3-methylbut-2-en-1-yl)benzene-1,2-diol
1-(acetyloxy)-1-(2,4,5-trimethoxyphenyl)propan-2-yl acetate
3,3’-bis(6-methoxychroman)
{"Ingredient_id": "HBIN007157","Ingredient_name": "3,3\u2019-bis(6-methoxychroman)","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "COC1=CC2=C(C=C1)OCC(C2)C3CC4=C(C=CC(=C4)OC)OC3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2481","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"}
(3s)-methoxy-1,7-bis(4-hydroxyphenyl)-6 e-hepten-5-one
{"Ingredient_id": "HBIN009724","Ingredient_name": "(3s)-methoxy-1,7-bis(4-hydroxyphenyl)-6 e-hepten-5-one","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "COC(CCC1=CC=C(C=C1)O)CC(=O)C=CC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13852","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,8-dihydroxy-2h-1-benzopyran-2-one; 7-o-(3,7-dimethyl-2,5,7-octatrienyl),8-me ether
{"Ingredient_id": "HBIN012973","Ingredient_name": "7,8-dihydroxy-2h-1-benzopyran-2-one; 7-o-(3,7-dimethyl-2,5,7-octatrienyl),8-me ether","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7485","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione
{"Ingredient_id": "HBIN013200","Ingredient_name": "7-hydroxy-12-methoxy-20-nor-abieta-1,5(10),7,9,12-pentaen-6,14-dione","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10428","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajuforrestine b
{"Ingredient_id": "HBIN014960","Ingredient_name": "ajuforrestine b","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "CC1COC2=C(C3=C(C(=O)C=C4C3(CCC(=C4C)C)C)C(=C12)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-013
{"Ingredient_id": "HBIN016322","Ingredient_name": "anticancer flavonoid pmv70p691-013","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
austrobailignan-5
{"Ingredient_id": "HBIN017382","Ingredient_name": "austrobailignan-5","Alias": "NA","Ingredient_formula": "C20H22O4","Ingredient_Smile": "CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC4=C(C=C3)OCO4","Ingredient_weight": "326.39","OB_score": "42.54318497","CAS_id": "55890-23-8","SymMap_id": "SMIT09324","TCMID_id": "NA","TCMSP_id": "MOL007985","TCM_ID_id": "NA","PubChem_id": "185825","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"}
