Exact Mass: 198.1242

Guaiazulene is a sesquiterpene. It derives from a hydride of a guaiane. Guaiazulene is a natural product found in Mikania cordifolia, Santolina corsica, and other organisms with data available. obtained from essential oils, e.g. chamomile oil. 7-Isopropyl-1,4-dimethylazulene is found in many foods, some of which are fats and oils, fig, german camomile, and tea. 7-Isopropyl-1,4-dimethylazulene is found in fats and oils. 7-Isopropyl-1,4-dimethylazulene is obtained from essential oils, e.g. chamomile oil. S - Sensory organs > S01 - Ophthalmologicals Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2]. Guaiazulene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=489-84-9 (retrieved 2024-11-06) (CAS RN: 489-84-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Tacrine

Parke davis brand OF tacrine hydrochloride

Tacrine is only found in individuals that have used or taken this drug. It is a centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimers disease and other central nervous system disorders. [PubChem]The mechanism of tacrine is not fully known, but it is suggested that the drug is an anticholinesterase agent which reversibly binds with and inactivates cholinesterases. This inhibits the hydrolysis of acetylcholine released from functioning cholinergic neurons, thus leading to an accumulation of acetylcholine at cholinergic synapses. The result is a prolonged effect of acetylcholine. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors KEIO_ID A123

4,4'-Methylenedianiline

4,4-Diaminodiphenylmethane, sodium chloride (3:1)

4,4’-Methylenedianiline (MDA) is an industrial chemical that is produced and used industrially as a precursor to polyamides, epoxy resins, and polyurethane foams (PMID: 20621954). It is a primary aromatic amine, belonging to the family of compounds known as Diphenylmethanes. Diphenylmethanes are compounds consisting of methane with two of the hydrogen atoms replaced by phenyl groups. MDA is used mainly as a precursor to 4,4 ́-methylene diphenyl diisocyanate (MDI), which is a precursor to many polyurethane foams. To generate MDI, which is a highly reactive isocyanate, MDA is treated with phosgene. Workers exposed to MDI may develop sensitization, leading to occupational asthma. MDI is metabolized in the body and secreted in the urine as MDA, Therefore MDA is a urinary biomarker of MDI exposure. On its own, MDA is a known animal carcinogen, and human hepatotoxin. MDA produces genotoxic effects by forming DNA adducts in the liver and inducing DNA damage to hepatocytes (PMID: 32038824). The Occupational Safety and Health Administration has set a permissible exposure limit at 0.01 ppm over an eight-hour time-weighted average, and a short-term exposure limit at 0.10 ppm. D009676 - Noxae > D002273 - Carcinogens

2-Amino-3-methylimidazo[4,5-f]quinoline

2-Amino-3-methylimidazo(4,5-F)quinoline hydrobromide

2-Amino-3-methylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3-methylimidazo[4,5-f]quinoline is isolated from cooked foods, e.g. sardines, beef extrac Isolated from cooked foods, e.g. sardines, beef extract. 2-Amino-3-methylimidazo[4,5-f]quinoline is found in fishes and animal foods. CONFIDENCE standard compound; INTERNAL_ID 5

N,N,N-Trimethyl-Histidine

C9H16N3O2+ (198.1242)

Slaframine

(-)-Slaframine

An indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1.

62641-07-0

cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid

1,2-Dihydroxymint lactone

1,2-Dihydroxy-p-menth-4(8)-en-9,3-olide

SK&F 91581

N-[3-(1H-imidazol-4-yl)propyl]-N-methylthiourea

4-Phenethylphenol

4-(2-Phenylethyl)phenol

N-Benzyl-N-methyl-2-aminopyridine

N-(Phenylmethyl)-N-methyl-2-pyridinamine

1-(3,4-Dimethoxyphenyl)ethane-1,2-diol

Paeonilactone A

2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole

10-methyl-1,3,8-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),5,8,10,12-pentaen-4-imine

2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole is a powerful mutagen presumed present in cooked food D009676 - Noxae > D009153 - Mutagens

7-deoxyloganetate

7-Deoxyloganetic acid

1,3,5,7,9,11,13-Pentadecaheptaene

Guaifenesin

Guaifenesin for peak identification, European Pharmacopoeia (EP) Reference Standard

Guaifenesin is a member of methoxybenzenes. Guaifenesin possesses a storied history, having been originally formally approved by the US FDA in 1952 and continues to be one of very few - if not perhaps the only drug that is readily available and used as an expectorant. Since that time the agent has been a combination component of various prescription and non-prescription over-the-counter cough and cold products and is currently a widely available over-the-counter generic medication. Although it is principally believed that guaifenesin elicits an action to facilitate productive cough to manage chest congestion, it is not known whether the agent can reliably mitigate coughing. Regardless, on March 1, 2007, the FDA received a petition asking the FDA to notify the public that some antitussives, expectorants, decongestants, antihistamines, and cough/cold combinations are not known to be safe and effective in children under the age of 6 years. After the negotiation between FDA and major manufacturers, a voluntary transition of labels for not using guaifenesin in children under the age of 4 years was endorsed by FDA in 2008. Furthermore, there has also been contemporary research to suggest that guaifenesin possesses and is capable of demonstrating anticonvulsant and muscle relaxant effects to some degree possibly by acting as an NMDA receptor antagonist. Guaifenesin is an Expectorant. The physiologic effect of guaifenesin is by means of Decreased Respiratory Secretion Viscosity, and Increased Respiratory Secretions. Guaifenesin is a natural product found in Plectranthus with data available. Guaifenesin is a glyceryl guaiacolate with expectorant effects. Guaifenesin increases respiratory tract mucus secretions, acts as an irritant to gastric vagal receptors and recruits efferent parasympathetic reflexes that cause glandular exocytosis. This agent reduces the viscosity of mucus secretion by reducing adhesiveness and surface tension as well as increasing hydration of mucus. Guaifenesin promotes the efficiency of the mucociliary mechanism important in removing accumulated secretions from the upper and lower airway. An expectorant that also has some muscle relaxing action. It is used in many cough preparations. [PubChem] An expectorant that also has some muscle relaxing action. It is used in many cough preparations. See also: Dextromethorphan Hydrobromide; Guaifenesin (component of); Guaifenesin; Phenylephrine Hydrochloride (component of); Guaifenesin; Pseudoephedrine Hydrochloride (component of) ... View More ... Guaifenesin (International Noproprietary Name) or guaiphenesin (former British Approved Name) is an expectorant drug usually taken orally to assist the expectoration (bringing up) of phlegm from the airways in acute respiratory tract infections. It is a common ingredient in many over-the-counter cough/cold medications. Guaifenesin is also used in the experimental guaifenesin protocol in the treatment of fibromyalgia. It was first approved by the Food and Drug Administration (FDA) in 1952. Guaifenesin works by drawing water into the bronchi. The water both thins mucus and lubricates the airway, facilitating the removal of mucus by coughing. Guaifenesin (INN) or guaiphenesin (former BAN) is an expectorant drug usually taken orally to assist the expectoration (bringing up) of phlegm from the airways in acute respiratory tract infections. It is a common ingredient in many over-the-counter cough/cold medications. Guaifenesin is also used in the experimental guaifenesin protocol in the treatment of fibromyalgia. It was first approved by the Food and Drug Administration (FDA) in 1952. Guaifenesin works by drawing water into the bronchi. The water both thins mucus and lubricates the airway, facilitating the removal of mucus by coughing. [HMDB] R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants C78273 - Agent Affecting Respiratory System > C29767 - Expectorant D019141 - Respiratory System Agents > D005100 - Expectorants Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough[1][2]. Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough[1][2].

Metharbital

5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

Metharbital is only found in individuals that have used or taken this drug. It was patented in 1905 by Emil Fischer working for Merck. It was marketed as Gemonil by Abbott Laboratories. It is a barbiturate anticonvulsant, used in the treatment of epilepsy. It has similar properties to phenobarbital. Metharbital binds at a distinct binding site associated with a Cl^- ionopore at the GABA_A receptor, increasing the duration of time for which the Cl^- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate

3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol

3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol

3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol is found in herbs and spices. 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol is a constituent of allspice (Pimenta dioica). Constituent of allspice (Pimenta dioica). 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol is found in herbs and spices.

Cadalene

1,6-dimethyl-4-(propan-2-yl)naphthalene

Cadalene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cadalene is considered to be an isoprenoid lipid molecule. Cadalene can be found in a number of food items such as cloves, sugar apple, rosemary, and fig, which makes cadalene a potential biomarker for the consumption of these food products. Cadalene can be found primarily in saliva and urine. Cadalene exists in all eukaryotes, ranging from yeast to humans. Cadalene or cadalin (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants . Cadalene (4-isopropyl-1,6-dimethylnaphthalene) is a polycyclic aromatic hydrocarbon with a chemical formula C15H18 and a cadinane skeleton. It is derived from generic sesquiterpenes, and ubiquitous in essential oils of many higher plants. Cadalene, together with retene, simonellite and ip-iHMN, is a biomarker of higher plants, which makes it useful for paleobotanic analysis of rock sediments. The ratio of retene to cadalene in sediments can reveal the ratio of the genus Pinaceae in the biosphere. (Wikipedia)

(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid

(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid is found in garden tomato. (2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid is produced by a mutant tomato variety flacca deficient in abscisic acid. Production by a mutant tomato variety flacca deficient in abscisic acid. (2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid is found in garden tomato.

5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid

2-oxo-5-[(3E)-pent-3-en-1-yl]oxolane-3-carboxylic acid

5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun

Dibenzyl ether

1,1-[Oxybis(methylene)]bisbenzene, 9ci

Dibenzyl ether, also known as benzyl oxide or fema 2371, belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Dibenzyl ether is a sweet, almond, and cherry tasting compound. Dibenzyl ether has been detected, but not quantified, in dills. This could make dibenzyl ether a potential biomarker for the consumption of these foods. Flavouring ingredient. Dibenzyl ether is found in dill.

3,4-Methylene suberic acid

3,4-dimethylideneoctanedioic acid

3,4-Methylene suberic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

2,3-Methylene suberic acid

2,3-dimethylideneoctanedioic acid

2,3-Methylene suberic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol

1-[(2E)-2-methyl-3-(methylsulfanyl)prop-2-en-1-yl]cyclohex-2-en-1-ol

1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.

Decadienedioic acid

(2E,4E)-deca-2,4-dienedioic acid

(-)-Slaframine

(1S,6S,8AS)-1-acetoxy-6-aminooctahydroindolizine

1,2,4,5-Tetramethoxybenzene

Benzene,1,2,4,5-tetramethoxy-

1,4-Butanediol diacrylate

4-(Prop-2-enoyloxy)butyl prop-2-enoic acid

1-Phenyl-2-(pyridin-2-yl)ethanamine

1-phenyl-2-(pyridin-2-yl)ethan-1-amine

(Rac)-Lanicemine ((Rac)-AZD6765) is the racemate of Lanicemine. Lanicemine (AZD6765) is a low-trapping NMDA channel blocker (Ki of 0.56-2.1?μM for NMDA receptor; IC50s of 4-7?μM and 6.4 μM in CHO and Xenopus oocyte cells, respectively). Antidepressant effects[1].

Ethylene glycol dimethacrylate

2-(2-Methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoic acid

4-(4-Methylcyclohexyl)-4-oxobutanoic acid

4-(trans-4-Methylcyclohexyl)-4-oxobutanoic acid

N,N'-Diphenylmethylenediamine

N,N-Diphenylmethylenediamine

Paeonimetabolin I

8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.0³,⁸]decan-5-one

(Carbamoylamino)peroxyurea

2-(But-3-enoyloxy)ethyl but-3-enoic acid

Chamaviolin

7-ethyl-4-methylazulene-1-carbaldehyde

Chamaviolin is a member of the class of compounds known as guaianes. Guaianes are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Chamaviolin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chamaviolin can be found in german camomile, which makes chamaviolin a potential biomarker for the consumption of this food product.

4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butyrate

2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl butanoic acid

It is used as a food additive .

Stagonolide I

Decarestrictrine A1

3,4,5-Trimethoxybenzyl alcohol

(3,4,5-Trimethoxyphenyl)methanol

Annularin B

Amidinomycin

C9H18N4O (198.1481)

Diplobifuranylone A

(-)-Diplobifuranylone A

hydroxydihydrobovolide

2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-5-pentyl-

2(5H)-Furanone, 5-hydroxy-3,4-dimethyl-5-pentyl- is a natural product found in Phleum pratense, Gaeumannomyces, and Epichloe typhina with data available.

3-Hydroxybibenzyl

3-PHENETHYL-PHENOL

PMAGWBXRCQWPNQ-UHFFFAOYSA-

4,5-Dihydropsoralen

Cadalin

Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-

Diplobifuranylone B

(-)-Diplobifuranylone B

Paeonilactone-A

(-)-Paeonilactone A

1-(4-Methoxyphenyl)-1,2,3-propanetriol

(1S)-(-)-Camphanic acid

1-cyclohexylhexahydropyrimidine-2-thione

C10H18N2S (198.1191)

N-[(4-methylphenyl)methyl]pyridin-3-amine

SCHEMBL14952777

MCULE-1014190195

(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid

DTXSID401017806

Se-Guaiazulene

C11H18O3

2,3,6-trimethoxy-5-methylphenol

1-hydroxy-9-(hydroxymethyl)-6-methyl-7-oxatricyclo[4.3.0.0?,?]nonan-4-one

communiol G

(2E,8Z,10E)-2,8,10-Pentadecatriene-4,6-diyne|2-trans-8-cis-10-trans-2,8,10-pentadecatriene-4,6-diyne|pentadeca-trans-2,cis-8,trans-10-triene-4,6-diyne

3,7-Dimethyl-4,7-epoxy-8-nonenoic acid

6-[(1R,2S)-dihydroxypentyl]-2H-pyran-2-one

3-(3-methoxyphenoxy)propane-1,2-diol

(4R,5S,6S,7R)-5-acetyl-6,7-dihydroxy-4-methylcycloheptenone|keisslone

SCHEMBL9272825

deca-2,4-dienedioic acid

(1R,3R,5S,7S,8S,9S)-3,8-epoxy-1,7dihydroxy-Delta4,11-dihyronepetane|jatamanin D

Pestalotiopyrone E

C10H14O4

(E)-form-6-Tetradecene-8,10,12-triyn-3-one|6-Tetradecene-8,10,12-triyn-3-one|Artemisiaketon|Tetradec-6t-en-8,10,12-triin-3-on|tetradec-6t-ene-8,10,12-triyn-3-one|trans-Tetradecen-(8)-triin-(2.4.6)-on-(12)

5-(1-Hydroxybutyl)-6-hydroxymethyl-2H-pyran-2-one

7-methyl-9-oxo-dec-7-eneoic acid

9-(1,1-dimethylprop-2-enyloxy)non-trans-7-ene-1,3,5-triyne

2,3-Dimethoxy-5,6-dimethyl-2-cyclohexene-1,4-dione

diplobifuranylones A

Valylvaline anhydride

1,4-dimethyl-8-isopropyl-azulene

1-ethyl-beta-carboline

(4S,5S)-5-(4-methyl-3-pentenyl)-4-hydroxy-5-methyldihydrofuran-2-one

Buergerinin C

7alpha,8alpha-dihydroxy-3,5-decadien-10-olide

Alkaloid RL-A

dihydroepinaucledal

4,6-Tetradecadiene-8,10,12-triyn-1-ol|all-trans-1-Hydroxy-tetradecadien-(4.6)-triin-(8.10.12)|tetradeca-4,6-dien-8,10,12-triyne-1-ol|tetradeca-4,6-diene-8,10,12-triyn-1-ol|tetradeca-4t,6t-diene-8,10,12-triyn-1-ol

4,6-Tetradecadiene-8,10,12-triyn-1-ol|all-trans-1-Hydroxy-tetradecadien-(4.6)-triin-(8.10.12)|tetradeca-4,6-dien-8,10,12-triyne-1-ol|tetradeca-4,6-diene-8,10,12-triyn-1-ol|tetradeca-4t,6t-diene-8,10,12-triyn-1-ol

3,8-Epidioxy-1,2-epoxy-p-mentha-4-ene-3-ol

Decarestrictine I

communiol F

Syneilesinolide B

Paeonimetabolin I

(+/-)-aeginetolide|Aeginetolide|Alginetolid

(+)-cephalosporolide E|(+)-cephalosporolide F|(-)-cephalosporolide F|cephalosporolide E|cephalosporolide F|Cepharosporolide F

methyl 8-hydroxy-2,6-dimethylocta-2,6-dienoate

delta-Lactone-(2R,3R,5Z)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid

methyl 9-oxodec-2-enoate

2,3-Dimethoxy-5,6-dimethylhydroquinone

Junipediol A

AB 5046A

DTXSID50460857

(3-ethylidene-2-oxotetrahydropyran-4-yl)-acetic acid methyl ester

2-(2-Hydroxy-4-methylphenyl)propane-1,2,3-triol

MEGxp0_000853

(+)-cephalosporolide B|Cephalosporolide B

4-(erythro-6,7-dihydroxy-9-methylpent-8-enyl)furan-2(5H)-one|aruncin A

Pyrenochaetolide B

cyclo-homononactic acid

2-(2-hydroxy-5-methoxyphenyl)propane-1,3-diol

arthropsadiol C

cucurbic acid

cimicifugolide A

2,6-Dimethoxy-4-(methoxymethyl)phenol

PROBARBITAL

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives

SCHEMBL17253835

2,5-Dimethoxy-3,6-dimethyl-1,4-benzenediol

(1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|cachinol

threo-1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol

1,4-Dimethyl-7-acetylazulene

1-Azulenecarboxaldehyde, 7-ethyl-4-methyl-

trans-beta-Thujaketonsaeure-methylester

OCCC(C(C(C=CC=CC)=O)C)O

1-Isopropyl-2,7-dimethylnaphthalene

ss-Isoamylnaphthalin

(+)-(2E,6S)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid methyl ester|(2E,6S)-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|(6S)-2-trans-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|methyl (6S)-2-trans-6-hydroxy-2,6-dimethyl-2,7-octadienoate

(+)-(2E,6S)-2,6-dimethyl-6-hydroxyocta-2,7-dienoic acid methyl ester|(2E,6S)-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|(6S)-2-trans-2,6-dimethyl-6-hydroxy-2,7-octadienoic acid methyl ester|methyl (6S)-2-trans-6-hydroxy-2,6-dimethyl-2,7-octadienoate

3-phenethylphenol

Chamazulen

4-Hydroxy-2-methoxy-p-mentha-1-ene-3-one

C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

NCGC00380778-01_C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Tacrine

D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6299; ORIGINAL_PRECURSOR_SCAN_NO 6297 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6327; ORIGINAL_PRECURSOR_SCAN_NO 6325 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6332; ORIGINAL_PRECURSOR_SCAN_NO 6331 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6338; ORIGINAL_PRECURSOR_SCAN_NO 6337 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6352; ORIGINAL_PRECURSOR_SCAN_NO 6351 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6355; ORIGINAL_PRECURSOR_SCAN_NO 6351

Guaiazulene

IQ

3-methyl-3H-imidazo[4,5-f]quinolin-2-amine

CONFIDENCE standard compound; INTERNAL_ID 2294

2-Amino-3-methylimidazo(4,5-F)quinoline

2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)

CONFIDENCE standard compound; INTERNAL_ID 2437

Terbuthylazine-TP CSCD648241 (LM6)

CONFIDENCE standard compound; UCHEM_ID 4175

GUAIAZULENE_major

GUAIAZULENE_20.7\\%

o-Methylbenzhydrol

9-Amino-1,2,3,4-tetrahydroacridine

CADALENE

4-Isopropyl-1,6-dimethylnaphthalene

metharbital

5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate

Benzyl oxide

1,1'-[Oxybis(methylene)]bisbenzene, 9CI

FA 11:2;O

7-hydroxy-2,4,7-trimethyl-2E,4E-octadienoic acid

SFE 11:2;O

methyl-6S-hydroxy-2E,4E-decadienoate

pentadeca-1Z,7Z,13Z-trien-9,11-diyne

4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER

4 4-methylene-13c-dianiline

2-(2-naphthalen-1-ylethyl)oxirane

2-Methyl-6-propionylnaphthalene

5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile

2,2-Diphenylethanol

1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride

4-(Ethenyloxy)-2,2,6,6-tetramethyl-1-piperidinyloxy

C11H20NO2 (198.1494)

Hydrazine,1-phenyl-1-(phenylmethyl)-

4-amino-l-phenylalanine hydrate

5-(TRIMETHOXYMETHYL)-BICYCLO[2.2.1]HEPT-2-ENE

1-(3,4-Difluorophenyl)piperazine

C10H12F2N2 (198.0968)

(4-METHYL-2-THIENYL)METHYLAMINE

N-Cyclopropyl-2-(piperidin-4-yloxy)acetamide

2-(2-pyridin-2-ylethyl)aniline

1-(2,4-Difluorophenyl)piperazine

C10H12F2N2 (198.0968)

4-(PIPERIDIN-1-YLMETHYL)THIAZOL-2-AMINE

C9H16N3S (198.1065)

1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl-

3-Ethyl-1-oxa-3,7-diazaspiro[4.5]decane-2,4-dione

2-PHENYL-2-(PIPERIDIN-4-YLIDENE)ACETONITRILE

4-(2-Aminophenethyl)pyridine

2,3-DIMETHYLINDOLE-1-PROPANENITRILE

3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one

3-Hydroxymethyl-2-methylbiphenyl

1-Ethyl-3-methylimidazolium tetrafluoroborate

C6H11BF4N2 (198.0951)

1-Cyclopentene-1-carboxylicacid,2-ethyl-4-hydroxy-3-methyl-,ethylester(9CI)

1H-Benzimidazole,2-(2-cyclopenten-1-ylmethyl)-(9CI)

6-Boc-3,6-Diazabicyclo[3.2.0]heptane

4-Methoxydiphenylmethane

ETHYL A-ACETYLCYCLOPENTANEACETATE

2-[5-(cyanomethyl)-1,3,5-trimethylcyclohex-3-en-1-yl]acetonitrile

1-methoxy-4-(4-methylphenyl)benzene

Pyrrolo[1,2-a]pyrazine, 2-acetyloctahydro-6-methyl- (7CI)

morpholin-4-yl(piperidin-4-yl)methanone

AMITRAZ METABOLITE HYDROCHLORIDE

1-(DIETHOXYMETHYL)-4,5-DIMETHYL-1H-IMIDAZOLE

1H-Imidazo[4,5-f]quinolin-2-amine,4-methyl-(9CI)

(4-methylbiphenyl-4-yl)-methanol

tert-butyl 2,6-diazabicyclo[2.2.1]heptane-2-carboxylate

3-AMINOMETHYL-BIPHENYL-4-YLAMINE

1-PHENYL PIPERAZINE HYDROCHLORIDE

4-TRIMETHYLSILANYLOXY-CYCLOHEX-3-ENE-CARBALDEHYDE

C10H18O2Si (198.1076)

3-(2-pyridin-2-ylethyl)aniline(SALTDATA: FREE)

Allyl cyclohexyloxyacetate

Methyl 2-amino-5-isobutyloxazole-4-carboxylate

(E)-2-(3-METHOXY-1-PROPEN-1-YL)-4 4 5 5&

1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE

Urea, (2-cyclopentylbutyryl)- (5CI)

4-(oxan-2-yloxy)cyclohexan-1-one

Ethyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate

Boc-L-Val-nitrile

2-PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOLE

(S)-(-)-1-METHYL-2-(1-PIPERIDINOMETHYL)PYRROLIDINE

BB-NC-0036

2-[1,1-Biphenyl]-4-Yl-1-Ethanol

N-Benzyl-3-pyridinemethylamine

5-amino-1-benzyl-imidazole-4-carbonitrile

1-(3-chlorophenyl)-N,N-dimethylethane-1,2-diamine

tert-butyl 4-oxocyclohexanecarboxylate

TERT-BUTYL 2-CYCLOPENTYLIDENEHYDRAZINECARBOXYLATE

N-Benzyl-N-methyl-4-pyridinamine

5-NORBORNENE-2-BENZOYL

Silane, dicyclopentylmethoxy- (9CI)

Triisopropylgallium

C9H21Ga (198.0899)

N-Benzyl-1,2-benzenediamine

TRANS-N,N-DIACETYLCYCLOHEXANE-1,2-DIAMINE

N-METHYL-N-(3-PYRIDIN-3-YLBENZYL)AMINE

N-METHYL(3-(PYRIDIN-4-YL)PHENYL)METHANAMINE

3-pyrrolidin-2-ylquinoline

1,3-Diethyl-5,6-diaminouracil

4-Ethylbiphenyl-4-ol

5-heptylfuran-2-thiol

1-methyl-2-phenylmethoxy-benzene

4,4,5,5-Tetramethyl-2-(tetrahydro-3-furanyl)-1,3,2-dioxaborolane

2-(2-Oxo-1-imidazolidinyl)ethyl methacrylate

4-(TERT-BUTYL)-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE

n-benzoylglycine-2,2-d2

C9H10D2N2O3 (198.0973)

3-(1,2,3,6-tetrahydropyridin-4-yl)-1h-indole

3,4-dimethyldiphenyl ether

4-PROPYL-[2,2]BIPYRIDINYL

(Z)-2-(2-ETHOXYVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

Piperazine,1,4-bis(2-oxiranylmethyl)-

tert-butyl 3-azabicyclo[3.1.0]hexan-6-ylcarbamate

TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE

1-Boc-4-(hydroxyMethyl)pyrazole

tert-Butyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate

4-AMINO-5-CYCLOHEXYL-4H-[1,2,4]TRIAZOLE-3-THIOL

2-benzylamino-4-methylpyridine

ethyl 3-tert-butyl-1,2,4-oxadiazole-5-carboxylate

1,1-DIPHENYLETHANOL

tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

4-[(5-oxo-2-pyrrolidinyl)carbonyl]morpholine

tert-butyl-dimethyl-(1H-pyrazol-4-yloxy)silane

C9H18N2OSi (198.1188)

benzyl-pyridin-4-ylmethyl-amine

2-(2-Methylphenyl)-benzenemethanol

1-butyl-3-methylimidazolium acetate

bis(4-methylphenyl) ether

4-AMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER

Boron trifluoride-butyl ether complex

C8H18BF3O (198.1403)

N-Benzyl-1,4-benzenediamine

(2-methylbiphenyl-4-yl)-methanol

METHYL-(2-PYRIDIN-3-YL-BENZYL)-AMINE

N-methyl-1-(4-pyridin-4-ylphenyl)methanamine

7-Methyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

tert-Butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate

N-METHYL-N-(4-PYRIDIN-2-YLBENZYL)AMINE

5-[1-(2,3-Dimethylphenyl)ethenyl]-1H-imidazole

tert-Butyl-2,6-diazaspiro[3.3]heptan-2-carboxylat

N1-(4-Chlorophenyl)-2-methyl-1,2-propanediamine

N1-(2-Chlorophenyl)-2-methyl-1,2-propanediamine

3,4-DIMETHYL[1,1-BIPHENYL]-4-OL

2-phenyl-1-pyridin-3-yl-ethylamine

tert-butyl-dimethyl-thiophen-2-ylsilane

C10H18SSi (198.0898)

3,4,5-TRIMETHOXY-PHENYL-HYDRAZINE

N-METHYL(5-PHENYLPYRID-2-YL)METHYLAMINE

2-({6-[(2-HYDROXYETHYL)AMINO]PYRIDAZIN-3-YL}AMINO)ETHAN-1-OL

2,3-Dihydro-5-methyl-1H-cyclopenta[b]quinolin-9-amine

1-Cyclopentene-1-carboxylicacid,2-(2-acetylhydrazino)-,methylester(9CI)

1,3-Di(4-pyridyl)propane

(E)-1-Ethoxyethene-2-boronic acid pinacol ester

(R)-(+)-2-(2-CARBOMETHOXYETHYL)-2-METHYLCYCLOHEXANONE

1-(3,5-Difluorophenyl)piperazine

C10H12F2N2 (198.0968)

tert-butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

3-benzylphenylhydrazine

2,3-Dihydro-7-methyl-1H-cyclopenta[b]quinolin-9-amine

2-(4-Aminobenzyl)aniline

N1-(3-CHLOROPHENYL)-2-METHYLPROPANE-1,2-DIAMINE

N1-(P-TOLYL)BENZENE-1,4-DIAMINE

2-AMINO-1-METHYL-3H-IMIDAZO[4,5-F]QUINOLINE

1-(2,2-Diethoxyethyl)-4-methyl-1H-pyrazole

ethyl 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetate

tert-Butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylate

N-Methyl(6-phenylpyrid-3-yl)methylamine

(S,S)-(+)-N,N-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II)

1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide

Nicotine hydrochloride

1-(4-Pyridinyl)cyclopentanamine hydrochloride (1:1)

1H-Imidazo[4,5-g]quinoxaline,1,2-dimethyl-(7CI)

2,3,4,5,6,7,8,9-octahydro-1h-trindene

1-ADAMANTYLOXYCARBONYL FLUORIDE

C11H15FO2 (198.1056)

1-Chloro-3,5-dimethyladamantane

C12H19Cl (198.1175)

Phenol,4-methyl-2-(phenylmethyl)-

1,4-Dimethyl-5-propylnaphthalene

5-(TRIETHYLSILYL)-4-PENTYN-1-OL

methyl octahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate

C-PYRIDIN-4-YL-C-O-TOLYL-METHYLAMINE

Benzenamine,4-[2-(2-pyridinyl)ethyl]-

3-chloro-2-N,2-N-diethylbenzene-1,2-diamine

4-Picoline, 2-(benzylamino)

(3-METHYL-[1,1-BIPHENYL]-4-YL)METHANOL

(3-METHYL-[1,1-BIPHENYL]-3-YL)METHANOL

1H-Benzimidazole,2-(3-cyclohexen-1-yl)-(9CI)

6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione

Pyrimido[1,2-a]benzimidazol-2-amine, 4-methyl- (9CI)

BIPHENYL-4-YLMETHYL-HYDRAZINE

N-(4-CHLORO-PHENYL)-N,N-DIMETHYL-ETHANE-1,2-DIAMINE

tert-butyl(1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

MORPHOLIN-4-YL-PIPERIDIN-2-YL-METHANONE

(2-Methyl-6-quinolinyl)methanol

tert-butyl (5-methylisoxazol-3-yl)carbamate

Pyrido[1,2-a]benzimidazole-2,8-diamine (9CI)

4-Pyridinecarbonitrile,1,2,3,6-tetrahydro-1-(phenylmethyl)-

Maleic acid, mono(4-methylpiperazide)

1-phenylpiperazin-1-ium chloride

(4-ISOPROPOXYPHENYL)BORONIC ACID HYDRATE

C9H15BO4 (198.1063)

methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate

Ethyl 5-(3-oxocyclobutyl)pentanoate

3-Methoxy-4-methylbiphenyl

5-AMINO-1-(3-METHYLPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

2-(dimethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate

2-ethyl-6-phenylphenol

1,2-Ethanediylbis[dimethyl(vinyl)silane]

C10H22Si2 (198.126)

4-(ETHYLTHIO)-6-ISOPROPYL-1,3,5-TRIAZIN-2- AMINE

N1-(3-CHLOROBENZYL)-N1-METHYLETHANE-1,2-DIAMINE

3-(4-Aminobenzyl)aniline

3,3-Methylenedianiline

1-methoxy-4-(2-methylphenyl)benzene

4,4-Ethene-1,1-diyldimorpholine

Ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate

4,4-DIMETHYLDIPHENYLETHER

3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)-

(3R)-(+)-3-(1-Methyl-1H-indol-3-yl)butanenitrile

Lanicemine

C26170 - Protective Agent > C1509 - Neuroprotective Agent

1-(1,1-difluoroethyl)-3-(1,1-dimethylethyl)- Benzene

C12H16F2 (198.122)

1-(1,1-difluoroethyl)-4-(1,1-dimethylethyl)- Benzene

C12H16F2 (198.122)

(S)-(3-aMinopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)Methanone

Oxibendazole-aMine-D7

C10H6D7N3O (198.1498)

(5S)-1-benzyl-5-methyl-1,4-diazepine

1-(1,1-difluoroethyl)-4-(1-methylpropyl)-Benzene

C12H16F2 (198.122)

2-chloro-N,N-diethylbenzene-1,4-diamine

2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester

3,6-Diazaspiro[3.3]heptane-6-carboxylic acid tert-butyl ester hemioxylate

(2-Benzylphenyl)hydrazine

Benzyl-pyridin-2-yl-methylamine

5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

1-Phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

Ethyl 3-cyclohexyl-3-oxopropanoate

1-methyl-1,2,3,4-tetrahydroquinolin-7-amine

(1R,5S,6s)-tert-butyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

2-(1-Ethylpropyl)-Napthalene

N-(4-Chlorobenzyl)propane-1,3-diamine

4-Methylbenzhydrol

3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-amino-,1,1-dimethylethyl ester

(R)-(-)-1,2-Diphenylethanol

1H-Imidazo[4,5-f]quinolin-2-amine,5-methyl-(9CI)

1H-Imidazo[4,5-f]quinoxaline,2-ethyl-(9CI)

3-Indolizinecarboxylicacid,6-aminooctahydro-5-oxo-(9CI)

cis-8-Methoxy-1,3-diazaspiro[4.5]decane-2,4-dione

2-Phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

4-Cyclopentyl-3-oxo-butyric acid ethyl ester

Dicyclohexylphosphine

C12H23P (198.1537)

(S)-(-)-1-(2-NAPHTHYL)ETHYLAMINE

C9H17F3O (198.1231)

4-METHOXY-3-METHYLBIPHENYL

1H-Benzimidazole,2-(1H-imidazol-1-yl)-1-methyl-(9CI)

5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile

2-benzylbenzyl alcohol

UNII:4G5CEI3415

4-(1-Phenylethyl)phenol

3-Amino-1-benzyl-1H-pyrazole-4-carbonitrile

Ethyl 2-oxocyclooctanecarboxylate

Phenethoxybenzene

chembrdg-bb 5376327

C8H11FN4O (198.0917)

Cyclooctanecarboxylicacid, 2-oxo-, ethyl ester

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-

N-Benzyl-6-methylpyridin-2-amine

tert-butyl N-{3-azabicyclo[3.1.0]hexan-6-yl}carbamate

boc-d-val-nitrile

1-(4-biphenylyl)ethanol

alpha-(2-Aminophenyl)benzylamine

ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate

Mebicar

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C78272 - Agent Affecting Nervous System Tetramethylglycerol (Tetramethylglycoluril) is a small molecule that acts on GABA Receptor, with anti-anxiety activity[1].

2-[1-(Diaminomethylidenehydrazinylidene)butan-2-ylideneamino]guanidine

C6H14N8 (198.1341)

N-[1-Carboxy-2-(1H-imidazole-5-yl)ethyl]trimethylaminium

C9H16N3O2+ (198.1242)

Cyclo(-Pro-Thr)

5-(Azepan-1-yl)-1,3,4-thiadiazol-2-amine

1,2-Diphenylethanol

Pyridine, 4-(4-dimethylaminophenyl)-

4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one

1-Ethyl-3-phenoxybenzene

Trimethylsilyl cyclohex-3-ene-1-carboxylate

C10H18O2Si (198.1076)

Azulol

InChI=1\C15H18\c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13\h5-10H,1-4H

S - Sensory organs > S01 - Ophthalmologicals Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2]. Guaiazulene is present in several essential oils of medicinal and aromatic plants, with antioxidant activity. Guaiazulene has in vitro cytotoxic activity against neuron and N2a neuroblastom (N2a-NB) cells[1][2].

LS-363

InChI=1\C14H14O\c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14\h1-10H,11-12H

1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol

1-[(2E)-2-methyl-3-(methylsulfanyl)prop-2-en-1-yl]cyclohex-2-en-1-ol

N-methyl-L-normetanephrinium

C10H16NO3+ (198.113)

2-(Oct-3-enoylamino)acetic acid

C10H16NO3+ (198.113)

N2-(4-methylphenyl)benzene-1,2-diamine

2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline

Nicotinaldehyde 2-pyridinylhydrazone

Ecgononium methyl ester(1+)

C10H16NO3+ (198.113)

An organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3.

4,5,6,7-Tetrahydro-2-phenylbenzofuran

1-Methyl-2-trimethylsilyloxycyclohexene

Para-(alpha-methylbenzyl(5D))phenol

3-(Trimethylsilyl)methyl-1-hepten-4-one

3,3-Dimethyl-2-trimethylsiloxyhexa-1,5-diene

2-Methyl-3-(trimethylsilyloxy)hepta-2,4-diene

2-Methyl-4-(trimethylsilylmethyl)-5-hexen-3-one

6a-Methoxyoctahydro-2H-pentaleno[1,6-bc]furan-4-methanol

2-Amino-6-methyldipyrido[1,2-a:3,2-d]imidazole

D009676 - Noxae > D009153 - Mutagens

4,4-Methylenedianiline

4,4′-methylenedianiline

D009676 - Noxae > D002273 - Carcinogens

Dibenzyl ether

A benzyl ether in which the oxygen atom is connected to two benzyl groups.

1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol

N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)

C9H16N3O2 (198.1242)

A quaternary ammonium ion obtained by the protonation of the carboxy function of N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine.

Hydroxyundecadienoic acid

Cyclo(Thr-Pro)

Cyclo(Val-Val)

tetradec-6-en-8,10,12-triyn-3-one

(4as,9ar)-1-ethyl-4ah,9h,9ah-pyrido[3,4-b]indole

(4e,6e)-tetradeca-4,6-dien-8,10,12-triyn-1-ol

(4s,5r)-4-hydroxy-5-methyl-5-(4-methylpent-3-en-1-yl)oxolan-2-one

8-isopropyl-1,5-dimethylazulene

(5s)-5-hydroxy-3,4-dimethyl-5-pentylfuran-2-one

(2z,3r,4s,5z)-2-[(2e)-but-2-en-1-ylidene]hept-5-ene-1,3,4-triol

(2e,5r)-5-hydroxy-3,6-dimethylhepta-2,6-dien-1-yl acetate

5-hydroxy-6-(1-methoxyethyl)-1-methyl-3-methylidene-6h-pyrazin-2-one

methyl (2e,6e)-8-hydroxy-2,6-dimethylocta-2,6-dienoate

methyl 6-hydroxy-2,6-dimethylocta-2,7-dienoate

1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydro naphthalene

{"Ingredient_id": "HBIN001877","Ingredient_name": "1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydro naphthalene","Alias": "NA","Ingredient_formula": "C15H18","Ingredient_Smile": "CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41903","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine

2-methyl-3-(2',3',4'-trihydroxybutyl)pyrazine

{"Ingredient_id": "HBIN005961","Ingredient_name": "2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine","Alias": "2-methyl-3-(2',3',4'-trihydroxybutyl)pyrazine","Ingredient_formula": "C9H14N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31690;14772","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol

{"Ingredient_id": "HBIN010040","Ingredient_name": "4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "NA","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "17098-67-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7912","PubChem_id": "NA","DrugBank_id": "NA"}

4,6-tetradecadiene-8,10,12-triyn-1-ol

{"Ingredient_id": "HBIN010086","Ingredient_name": "4,6-tetradecadiene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCO","Ingredient_weight": "198.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7899","PubChem_id": "71353587","DrugBank_id": "NA"}

6-Isopropyl-1,4-dimethylnaphthalene

6-isopropyl-1,4-dimethyl-naphthalene; 1,4-dimethyl-6-propan-2-yl-naphthalene; 1,4-dimethyl-6-propan-2-ylnaphthalene

{"Ingredient_id": "HBIN012481","Ingredient_name": "6-Isopropyl-1,4-dimethylnaphthalene","Alias": "6-isopropyl-1,4-dimethyl-naphthalene; 1,4-dimethyl-6-propan-2-yl-naphthalene; 1,4-dimethyl-6-propan-2-ylnaphthalene","Ingredient_formula": "C15H18","Ingredient_Smile": "CC1=C2C=CC(=CC2=C(C=C1)C)C(C)C","Ingredient_weight": "198.3 g/mol","OB_score": "33.79169682","CAS_id": "NA","SymMap_id": "SMIT07242","TCMID_id": "NA","TCMSP_id": "MOL005493","TCM_ID_id": "NA","PubChem_id": "603340","DrugBank_id": "NA"}

6-tetradecene-8,10,12-triyn-3-one

{"Ingredient_id": "HBIN012826","Ingredient_name": "6-tetradecene-8,10,12-triyn-3-one","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CCC(=O)CCC=CC#CC#CC#CC","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "37064-08-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7519","PubChem_id": "5321840","DrugBank_id": "NA"}

aeginetolide