Exact Mass: 204.1501
Exact Mass Matches: 204.1501
Found 500 metabolites which its exact mass value is equals to given mass value 204.1501,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bufotenin
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic. Bufotenin (5-OH-DMT), is a tryptamine related to the neurotransmitter serotonin. It is an alkaloid found in the skin of some species of toads; in mushrooms, higher plants, and mammals. Bufotenin is a chemical constituent in the venom and eggs of several species of toads belonging to the Bufo genus, but most notably in the Colorado River toad (Bufo alvarius) as it is the only toad species in which bufotenin is present in large enough quantities for a psychoactive effect. Extracts of toad venom, containing bufotenin and other bioactive compounds, have been used in some traditional medicines (probably derived from Bufo gargarizans), which has been used medicinally for centuries in China. Bufotenin is a constituent of the seeds of Anadenanthera colubrina and Anadenanthera peregrina trees. Anadenanthera seeds have been used as an ingredient in psychedelic snuff preparations by indigenous cultures of the Caribbean, Central and South America. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Ethambutol
An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863) J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 2782
Psilocin
Psilocin (4-OH-DMT), an aromatic compound, sometimes also spelled psilocine, psilocyn, or psilotsin, is a psychedelic mushroom alkaloid. It is found in most psychedelic mushrooms together with its phosphorylated counterpart psilocybin. Psilocin is a Schedule I drug under the Convention on Psychotropic Substances. The mind-altering effects of psilocin are highly variable and subjective, but resemble those caused by LSD and mescaline. The effects typically last anywhere from three to eight hours depending on certain variables (such as metabolism, food interaction); however the effects can seem to last much longer due to psilocins ability to distort the perception of time. Sulfur analogs are known with a benzothienyl replacement as well as 4-SH-DMT. N1-methylpsilocin is a functionally 5-HT2C receptor preferring agonists. 4-fluoro-N,N-dimethyltryptamine is known. O-Acetylpsilocin is an acetylized analog of psilocin, also known as 4-AcO-DMT. Additionally, substitution of a methyl group at the dimethylated nitrogen with an isopropyl or ethyl group yields 4-HO-MIPT (4-Hydroxy-N-Methyl-N-Isopropyltryptamine) and 4-HO-MET (4-Hydroxy-N-Methyl-N-Ethyltryptamine), respectively. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
Acetylcarnitine
Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A143; [MS2] KO009087 KEIO_ID A143
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)
Caulophylline
N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
Plastoquinone
Plastoquinone is a member of the class of compounds known as prenylquinones. Prenylquinones are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. Plastoquinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Plastoquinone can be found in barley, which makes plastoquinone a potential biomarker for the consumption of this food product. Plastoquinone (PQ) is an isoprenoid quinone molecule involved in the electron transport chain in the light-dependent reactions of photosynthesis. The most common form of plastoquinone, known as PQ-A or PQ-9, is a 2,3-dimethyl-1,4-benzoquinone molecule with a side chain of nine isoprenyl units. There are other forms of plastoquinone, such as ones with shorter side chains like PQ-3 (which has 3 isoprenyl side units instead of 9) as well as analogs such as PQ-B, PQ-C, and PQ-D, which differ in their side chains. The benzoquinone and isoprenyl units are both nonpolar, anchoring the molecule within the inner section of a lipid bilayer, where the hydrophobic tails are usually found .
2-Phenylethyl 3-methyl-2-butenoate
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol
(1S*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol is found in fats and oils. (1S*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol is a constituent of fruit of Carum carvi (caraway).
3,7-Dimethyl-3-octene-1,2,6,7-tetrol
3,7-Dimethyl-3-octene-1,2,6,7-tetrol is found in fruits. 3,7-Dimethyl-3-octene-1,2,6,7-tetrol is a constituent of Passiflora quadrangularis (giant grandilla) Constituent of Passiflora quadrangularis (giant grandilla). 3,7-Dimethyl-3-octene-1,2,6,7-tetrol is found in fruits.
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices. (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol is found in herbs and spices.
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Helianthus annuus (sunflower)
3-Isovalidene-3alpha,4-dihydrophthalide
3-Isovalidene-3alpha,4-dihydrophthalide is found in green vegetables. 3-Isovalidene-3alpha,4-dihydrophthalide is a odorous constituent of celery stem and leaf (Apium graveolens Odorous constituent of celery stem and leaf (Apium graveolens). 3-Isovalidene-3alpha,4-dihydrophthalide is found in wild celery and green vegetables.
(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne
(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne is found in tea. (6R,7S)-6,7-Epoxy-1,3-tetradecadiyne is a constituent of Panax quinquefolium (American ginseng)
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices. (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). (2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol is found in herbs and spices.
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is found in herbs and spices. (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol is found in herbs and spices.
cis-3-Hexenyl benzoate
cis-3-Hexenyl benzoate is found in fruits. cis-3-Hexenyl benzoate is a constituent of black tea aroma. Also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. cis-3-Hexenyl benzoate is a flavouring agent. Constituent of black tea aromaand is also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. Flavouring agent. cis-3-Hexenyl benzoate is found in tea and fruits.
Butyl cinnamate
Butyl cinnamate is a flavouring ingredient. Flavouring ingredient
Phenethyl tiglate
Phenethyl tiglate is a flavouring ingredient. Flavouring ingredient
alpha,alpha-Dimethylanisalacetone
alpha,alpha-Dimethylanisalacetone is a flavouring ingredien Flavouring ingredient
Hexyl 3-mercaptobutanoate
Hexyl 3-mercaptobutanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-Benzylidene-1-heptanol
2-Benzylidene-1-heptanol is a flavouring ingredien Flavouring ingredient
Benzyl 2,3-dimethyl-2-butenoate
Benzyl 2,3-dimethyl-2-butenoate is a flavouring agent Flavouring agent
Isobutyl cinnamate
Isobutyl cinnamate is a flavouring ingredient. Flavouring ingredient
(S)-3-Mercaptohexyl butyrate
(S)-3-Mercaptohexyl butyrate is found in fruits. (S)-3-Mercaptohexyl butyrate is isolated from yellow passion fruit (Passiflora edulis). (S)-3-Mercaptohexyl butyrate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. (S)-3-Mercaptohexyl butyrate is found in fruits.
3-Mercaptohexyl butyrate
3-Mercaptohexyl butyrate is a flavouring agent. Flavouring agent
3-Benzyl-4-heptanone
3-Benzyl-4-heptanone is used in food flavouring (plum/peach). It is used in food flavouring (plum/peach)
Nebracetam
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs C26170 - Protective Agent > C1509 - Neuroprotective Agent
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
Caulophyllin
N-Methylcytisine is a natural product found in Thermopsis lanceolata, Sophora chrysophylla, and other organisms with data available. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2]. N-Methylcytisine (Caulophylline), a tricyclic quinolizidine alkaloid, exerts hypoglycaemic, analgesic and anti-inflammatory activities. N-methylcytisine is a selective ligand of nicotinic receptors of acetylcholine in the central nervous system and has a high affinity (Kd = 50 nM) to nicotinic acetylcholine receptors (nAChR) from squid optical ganglia[1][2].
(+)-Chamecynenol
5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol
(E)-5-(2,3-dimethyl-3-nortricyclyl)pent-3-en-2-one|1,7-Dimethyl-7-(1-pent-2-en-4-onyl)nortricyclen
rel-(1R,2R,3R,4S,6S)-p-menthane-1,2,3,6-tetrol|rel-(1R,2S,3S,4S,5R)-2-methyl-5-(1-methylethyl)-cyclohexane-1,2,3,4-tetrol
(1S,2R,5S)-2,5-dihydroxymethyl-2-hydroxyethylcyclohexanol
(rel-1R,2R,3R,4S,5S)-4-isopropyl-1-methylcyclohexane-1,2,3,5-tetrol|rel-(1R,2R,3R,4S,5S)-p-menthane-1,2,3,5-tetrol
(E)-4-(3-octenyl)phenol|E-4-(3-octenyl)phenol|gibbilimbol D
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.084 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.090
1COOH-2But-A7EO1
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
Ethambutol
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent CONFIDENCE standard compound; INTERNAL_ID 4; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexane-1,3-diol
(r)-(-)-n-methyl-1-phenyl-2-(1-pyrrolidino)ethylamine
tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
Carbamic acid, [2-[(2-hydroxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
3-[2-Methyl-4-(2-methyl-2-propanyl)phenyl]propanal
3-[3-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
3-[2-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
HEXAHYDRO-2-[(3-METHYL-4-PYRIDINYL)METHYL]-1H-AZEPINE
2-(1-BENZYLPYRROLIDIN-3-YL)ETHANAMINE HYDROCHLORIDE
1-(3-DIMETHYLAMINO-PROPYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
3-(4,5-DIMETHYL-1H-BENZIMIDAZOL-2-YL)-PROPAN-1-AMINE
1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-dimethanol
(3S,4S)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
(2S,5R)-1-Benzyl-2,5-dimethylpiperazine dihydrochloride
(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-7-amine
2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-2-METHYLPROPAN-1-AMINE
(3S,4R)-tert-Butyl 3-amino-4-fluoropyrrolidine-1-carboxylate
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propan-2-amine
1-(8-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
1-{3-[(METHYLAMINO)METHYL]BENZYL}PYRROLIDINE 90+N-METHYL-3-(PYRROLIDIN-1-YLMETHYL)BENZYLAMINE
1H-2-Benzopyran-1-one,4,4-diethyl-3,4-dihydro-(9CI)
6-METHOXY-1-VINYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
4-Methylbenzeneboronic acid neopentyl glycol ester
Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]-
(1-BENZYL-3-TRIFLUOROMETHYL-PYRROLIDIN-3-YL)-METHANOL
2-Propenoic acid,3-phenyl-, 1,1-dimethylethyl ester
5-Amino-3-cyclohexyl-1-methyl-1H-pyrazole-4-carbonitrile
4-TERT-BUTOCYCARBONYLAMINO CYCLOHEXANE CARBOXYLIC ACID METHYL ESTER
N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
(R)-2-HYDROXYMETHYLMORPHOLINE-4-CARBOXYLICACIDTERT-BUTYLESTER
1-(4-methoxy-1h-indol-3-yl)-n,n-dimethylmethanamine
1-(6-amino-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Cis-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate
1,2-Cyclobutanedimethanol,3,3-diethoxy-,trans-(9CI)
4-PiperidinaMine, 3-Methyl-1-(phenylMethyl)-, trans- (9CI)
4-PiperidinaMine, 3-Methyl-1-(phenylMethyl)-, (3R,4S)
Ethanone,1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
6-((dimethylamino)Methyl)-5,6,7,8-tetrahydronaphthalen-2-amine
1H-2-Benzopyran,3,4-dihydro-1,1,4,4,7-pentamethyl-(9CI)
N-[3-[methoxy(dimethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
1h-indene-1-acetic acid, 2,3-dihydro-, ethyl ester
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
4,7,8-Trimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
1,2-Dioxetane, 3,4,4-trimethyl-3-[[(trimethylsilyl)oxy]methyl]-
(+)-gamma-Hydroxy-L-homoarginine
(+)-gamma-hydroxy-l-homoarginine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom (+)-gamma-hydroxy-l-homoarginine is soluble (in water) and a moderately acidic compound (based on its pKa). (+)-gamma-hydroxy-l-homoarginine can be found in common pea and lentils, which makes (+)-gamma-hydroxy-l-homoarginine a potential biomarker for the consumption of these food products.
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
6-[(4-Aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
(4aR,7R,7aS)-7,7a-dimethyl-5,6,7,8-tetrahydro-4aH-cyclopenta[f][1]benzofuran-4-one
(3R)-3,10-dihydroxydecanoic acid
A dihydroxy monocarboxylic acid that is 10-hydroxydecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
[(1R,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aS,8bS)-2-methyl-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
(3R,9R)-3,9-dihydroxydecanoic acid
An (omega-1)-hydroxy fatty acid that is (9R)-9-hydroxydecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
[(2R)-3-carboxy-2-(2,2,2-trideuterioacetyl)oxypropyl]-trimethylazanium
(3R)-1-(5-aminopentylamino)-3,4-dihydroxybutan-2-one
1-Isobutyl-9-methylbicyclo(3.2.2)nona-3,6-dien-2-one
PSILOCIN
A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms"). D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
bufotenin
A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol
4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol
Gly-Lys(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Gly-Lys; major species at pH 7.3.
norpinguisone
A natural product found particularly in Porella chilensis and Porella navicularis.
Lys-Gly(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Gly; major species at pH 7.3.
Cipepofol
Cipepofol (Ciprofol), a novel 2,6-disubstituted phenol derivative, is a positive allosteric modulator and direct agonist of the GABAA receptor. Cipepofol can cause the central nerve inhibition and promote sleep based on the structural modification of Propofol (HY-B0649). Cipepofol can activate the sirtuin1 (Sirt1)/Nrf2 pathway. Cipepofol protects the heart against Isoproterenol (ISO; HY-B0468)-induced myocardial infarction by reducing cardiac oxidative stress, inflammatory response and cardiomyocyte apoptosis[1][2]. Cipepofol (Ciprofol), a novel 2,6-disubstituted phenol derivative, is a positive allosteric modulator and direct agonist of the GABAA receptor. Cipepofol can cause the central nerve inhibition and promote sleep based on the structural modification of Propofol (HY-B0649). Cipepofol can activate the sirtuin1 (Sirt1)/Nrf2 pathway. Cipepofol protects the heart against Isoproterenol (ISO; HY-B0468)-induced myocardial infarction by reducing cardiac oxidative stress, inflammatory response and cardiomyocyte apoptosis[1][2].
(4as,7s,7ar)-7,7a-dimethyl-4ah,5h,6h,7h,8h-indeno[5,6-b]furan-4-one
4a,8,8-trimethyl-1h,1ah,5h,6h,7h-cyclopropa[e]naphthalen-2-one
(1r,9r)-11-methyl-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
(1s,2s,3s,4r,5r)-4-isopropyl-1-methylcyclohexane-1,2,3,5-tetrol
1-[4-hydroxy-3-(3-methylbut-1-en-1-yl)phenyl]ethanone
5-methylidene-3-(propan-2-ylidene)-hexahydro-1h-naphthalen-2-one
(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol
{"Ingredient_id": "HBIN003080","Ingredient_name": "(1r,2s,4r,8r)-p-menthane-1,2,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC1(CCC(CC1O)C(C)(CO)O)O","Ingredient_weight": "204.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "92467558","DrugBank_id": "NA"}
(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol
{"Ingredient_id": "HBIN003229","Ingredient_name": "(1s,2s,4r,8s)-p-menthane-1,2,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC1(CCC(CC1O)C(C)(CO)O)O","Ingredient_weight": "204.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13728","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11074485","DrugBank_id": "NA"}
2,5-dimethyl-4-Methoxyphenanthrene
{"Ingredient_id": "HBIN004652","Ingredient_name": "2,5-dimethyl-4-Methoxyphenanthrene","Alias": "NA","Ingredient_formula": "C9H18NO4+","Ingredient_Smile": "CC(=O)OC(CC(=O)O)C[N+](C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hexenyl benzoate
{"Ingredient_id": "HBIN005685","Ingredient_name": "2-hexenyl benzoate","Alias": "NA","Ingredient_formula": "C13H16O2","Ingredient_Smile": "CCCC=CCOC(=O)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol
{"Ingredient_id": "HBIN007809","Ingredient_name": "3,7-dimethyloct-3(10)-ene-1,2,6,7-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "CC(C)(C(CCC(=C)C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15171","TCMID_id": "6386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4βh-cis-p-menthane-2α,6α,8,9-tetrol
{"Ingredient_id": "HBIN010268","Ingredient_name": "4\u03b2h-cis-p-menthane-2\u03b1,6\u03b1,8,9-tetrol","Alias": "NA","Ingredient_formula": "C10H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13723","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
