Exact Mass: 212.10485359999998
Exact Mass Matches: 212.10485359999998
Found 500 metabolites which its exact mass value is equals to given mass value 212.10485359999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harmine
C13H12N2O (212.09495819999998)
Harmine is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. It has a role as a metabolite, an anti-HIV agent and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It derives from a hydride of a harman. Harmine is a natural product found in Thalictrum foetidum, Acraea andromacha, and other organisms with data available. Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920s. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens Harmine is found in fruits. Harmine is an alkaloid from Passiflora edulis (passionfruit A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) [Raw Data] CB043_Harmine_pos_40eV_CB000020.txt [Raw Data] CB043_Harmine_pos_50eV_CB000020.txt [Raw Data] CB043_Harmine_pos_10eV_CB000020.txt [Raw Data] CB043_Harmine_pos_30eV_CB000020.txt [Raw Data] CB043_Harmine_pos_20eV_CB000020.txt CONFIDENCE standard compound; INTERNAL_ID 2884 [Raw Data] CB043_Harmine_neg_50eV_000013.txt [Raw Data] CB043_Harmine_neg_30eV_000013.txt [Raw Data] CB043_Harmine_neg_10eV_000013.txt [Raw Data] CB043_Harmine_neg_20eV_000013.txt [Raw Data] CB043_Harmine_neg_40eV_000013.txt Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Butabarbital
Butabarbital (trade name Butisol) is a prescription barbiturate sleep aid. Butabarbital has a particularly fast onset of effects and short duration of action compared to other barbiturates, which makes it useful for certain applications such as treating severe insomnia and relieving anxiety before surgical procedures; however it is also relatively dangerous particularly when combined with alcohol, and so is now rarely used, although it is still prescribed in some Eastern European and South American countries. Its short duration of action gives butabarbital a high abuse potential, comparable to secobarbital. [Wikipedia] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
D-Glycero-D-galacto-heptitol
D-Glycero-D-manno-heptitol is found in avocado. D-Glycero-D-manno-heptitol occurs in the edible chichitake mushroom (Lactarius volemus). D-Glycero-D-manno-heptitol is widely distributed in plants. Occurs in the edible chichitake mushroom (Lactarius volemus). Widely distributed in plants. D-Glycero-D-manno-heptitol is found in mushrooms and avocado.
BURIMAMIDE
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is isolated from sardines, beef extract and hamburger, probably widely distributed in cooked food Isolated from sardines, beef extract and hamburger, probably widely distributed in cooked foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in fishes and animal foods. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
7-Deoxyloganetin
An iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid.
Prolylproline
Prolylproline is a dipeptide composed of proline and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411).
Deterrol
Deterrol is found in mushrooms. Deterrol is isolated from the mushroom Lactarius deterrimus. Isolated from the mushroom Lactarius deterrimus. Deterrol is found in mushrooms.
Pyrocurzerenone
Pyrocurzerenone is a constituent of the rhizomes of Curcuma zedoaria (zedoary). Constituent of the rhizomes of Curcuma zedoaria (zedoary)
11,12-Dihydrolactaroviolin
11,12-Dihydrolactaroviolin is found in mushrooms. 11,12-Dihydrolactaroviolin is isolated from the mushroom Lactarius deterrimu Isolated from the mushroom Lactarius deterrimus. 11,12-Dihydrolactaroviolin is found in mushrooms.
Carbanilide
C13H12N2O (212.09495819999998)
Carbanilide is found in fruits. Carbanilide is isolated from coconut mil
Histidylglycine
Histidylglycine is a dipeptide composed of histidine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glycyl-Histidine
Glycyl-Histidine is a dipeptide composed of glycine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Butethal
Butethal is only found in individuals that have used or taken this drug. It is a sedative and a hypnotic drug.Butethal binds at a distinct binding site associated with a Cl- ionopore at the GABAA 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. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate
S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate is a flavouring agent. Flavouring agent
3,4-Methyleneazelaic acid
3,4-Methyleneazelaic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
1H-Imidazole-1-ethanol, alpha-(1-aziridinylmethyl)-2-nitro-
D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Salicyaldehyde
C13H12N2O (212.09495819999998)
Salicyaldehyde, also known as salicylaldehyde phenylhydrazone, is a member of the class of compounds known as phenylhydrazines. Phenylhydrazines are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. Salicyaldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Salicyaldehyde can be found in chinese cinnamon, which makes salicyaldehyde a potential biomarker for the consumption of this food product.
7-Methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde
7-Dihydro-4-methyl-7-(1-methylethylidene)-1-azulenecarboxaldehyde
Dehydro-piliformic-acid
[Raw Data] CBA56_Dehydropilif_pos_30eV.txt [Raw Data] CBA56_Dehydropilif_pos_20eV.txt [Raw Data] CBA56_Dehydropilif_pos_10eV.txt
5,6-Dihydro-4-methoxy-6-(1-oxopentyl)-2H-pyran-2-one
(5E,7E,13E)-5,7,13-Pentadecatriene-9,11-diynal|5,7,13-Pentadecatriene-9,11-diynal|pentadeca-5t,7t,13t-triene-9,11-diynal
3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
(E,E)-1,8,10,14-Pentadecatetraene-4,6-diyn-3-ol|Pentadeca-1,8,10,14-en-4,6-diin-3-ol|pentadeca-1,8t,10t,14-tetraene-4,6-diyn-3-ol|trans.trans-Pentadecatetraen-(1.8.10.14)-diin-(4.6)-ol-(3)
5,7-Pentadecadiene-9,11,13-triyn-1-ol|pentadeca-5t,7t-diene-9,11,13-triyn-1-ol|trans-trans-Pentadecadien-(5,7)-triin-(9,11,13)-ol-(1)
9-acetamido-3,4-dihydropyrido-(3,4-b)-indole|9-Acetyl-3,4-dihydro-beta-carboline
C13H12N2O (212.09495819999998)
(1R,4aS,6S,7R,7aS)-6-hydroxy-1-methoxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|1-O-methyl cachinol
(5E,7Z,13E)-5,7,13-Pentadecatriene-9,11-diyn-4-one|(5E,7Z,13E)-5,7,13-Pentadrcatriene-9,11-diyn-4-one|pentadeca-trans-2,cis-8,trans-10-triene-4,6-diyn-12-one
Harmine
C13H12N2O (212.09495819999998)
Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.622 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.620 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.613 Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
3,5-dihydroxy-2-methoxy-8-methylnona-2,6-diene 1,4-lactone
2-(2-Hydroxy-4-methylphenyl)-2-methoxypropane-1,3-diol
rel-(2R,3S,4aR,7S,7aR)-hexahydro-3-hydroxy-7-methyl-2-[(1E)-prop-1-en-1-yl]-5H-furo[3,4-b]pyran-5-one|theissenolactone A
4-Methoxy-1-methyl-9h-pyrido[3,4-b]indole
C13H12N2O (212.09495819999998)
1beta-methoxy-7beta-hydroxy-7alpha-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|campsinol
(4beta,8beta)-8-methoxy-3-methoxy-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
(E,E,)-1,8,10-Pentadecatriene-4,6-diyn-3-one|pentadeca-1,8t,10t-triene-4,6-diyn-3-one
(2E,4R,5S)-2-ethylidene-5-(methoxycarbonyl)-4-methylhexano-5-lactone|(2S,3R,5E)-5-ethylidenetetrahydro-2,3-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester|(4R,5S)-2-<(E)-ethylidene>-5-methoxycarbonyl-4-methyl-5-hexanolide
3-Isopropyl-6-hydroxy-1,6-trimethylenepiperazine-2,5-dione
Depudecin
Depudecin is a polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and a fungal metabolite. (-)-Depudecin is a natural product found in Alternaria brassicicola and Xylaria with data available. Depudecin is depudecin is a fungal metabolite that reverts the rounded phenotype of NIH 3T3 fibroblasts transformed with v-ras and v-src oncogenes to the flattened phenotype of the non-transformed parental cells. The mechanism of de-transformation induced by this agent had not been determined. However, depudecin has been demonstrated to inhibit histone deacetylase (HDAC) activity effectively both in vivo and in vitro. A polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity.
1-Methoxymethyl-β-carboline
C13H12N2O (212.09495819999998)
1-(methoxymethyl)-9H-pyrido[3,4-b]indole is a natural product found in Eurycoma longifolia with data available.
propanol syringol
4-(3-Hydroxypropyl)-2,6-dimethoxyphenol is a natural product found in Centaurea diffusa, Jurinea leptoloba, and other organisms with data available. Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2]. Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2].
7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
C13H12N2O (212.09495819999998)
butabarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Butethal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Volemitol
A heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 5 and 6.
Gly-his
A dipeptide composed of glycine and L-histidine joined by a peptide linkage.
His-Gly
A dipeptide formed from L-histidine and glycine residues.
4-Methyl-5-oxo-2-pentyl-2,5-dihydro-3-furancarboxylic acid
2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
C13H12N2O (212.09495819999998)
2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
3-PHENYL-6,7-DIHYDRO-1H-INDAZOL-4(5H)-ONE
C13H12N2O (212.09495819999998)
3,3-((OXYBIS(ETHANE-2,1-DIYL))BIS(OXY))DIPROPANENITRILE
4-HYDROXYBIPHENYL-4-CARBOXIMIDAMIDE
C13H12N2O (212.09495819999998)
tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
(7R,9AS)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE
6,9-DIAZA-SPIRO[4.5]DECANEDIHYDROCHLORIDE
C8H18Cl2N2 (212.08469680000002)
OCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE DIHYDROCHLORIDE
C8H18Cl2N2 (212.08469680000002)
bicyclo[3.2.1]octane-1,5-dicarboxylic acid Monomethyl ester
Silane, [(2-ethoxy-1-methoxycyclopropyl)ethynyl]trimethyl-, (1R-cis)- (9CI)
C11H20O2Si (212.12325000000004)
1-ethyl-2,3-dimethylimidazol-3-ium,tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)
BIPHENYL-3-CARBOXYLIC ACID HYDRAZIDE
C13H12N2O (212.09495819999998)
5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl-amine
4-(2-FURYL)-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE
C13H12N2O (212.09495819999998)
Benzamide,N-(3-methyl-2-pyridinyl)-
C13H12N2O (212.09495819999998)
4-oxo-8-propan-2-yl-1H-quinoline-3-carbonitrile
C13H12N2O (212.09495819999998)
Albutoin
C10H16N2OS (212.09832859999997)
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
1-Cyclopropylmethylpiperazine dihydrochloride
C8H18Cl2N2 (212.08469680000002)
(2-FLUORO-5-ISOBUTOXYPHENYL)BORONIC ACID
C10H14BFO3 (212.10199760000003)
1-(Tert-Butoxycarbonyl)-1H-pyrazol-3-yl-Boronic acid
5-BUTOXY-2-FLUOROPHENYLBORONIC ACID
C10H14BFO3 (212.10199760000003)
(4-Butoxy-3-fluorophenyl)boronic acid
C10H14BFO3 (212.10199760000003)
Phenol,4-methyl-2-(2-phenyldiazenyl)-
C13H12N2O (212.09495819999998)
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
C8H18Cl2N2 (212.08469680000002)
3-Fluoro-5-isobutoxyphenylboronic acid
C10H14BFO3 (212.10199760000003)
N-(4-methoxyphenyl)-1-pyridin-4-ylmethanimine
C13H12N2O (212.09495819999998)
2-OXO-1-(2-OXO-PROPYL)-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
(2-BUTOXY-4-FLUOROPHENYL)BORONIC ACID
C10H14BFO3 (212.10199760000003)
(R)CYANO(3-PHENOXYPHENYL)-3-(2,2-DICHLOROETHENYL)2,2-DIMETHYLCYCLOPROPANECARBOXYLICACIDMETHYLESTER
1-METHYL-4-NITRO-3-PROPYL-(1H)-PYRAZOLE-5-CARBOXAMIDE
(2-aminophenyl)(phenyl)methanone oxime
C13H12N2O (212.09495819999998)
1-(Cyanomethyl)piperidinium tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
Benzenepropanoic acid, 2-fluoro-4-Methoxy-, Methyl ester
(4R,5R)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLICACIDDIMETHYLESTER
C11H20O2Si (212.12325000000004)
Salicylaldehyde phenylhydrazone
C13H12N2O (212.09495819999998)
N-Methyl-N-[(5-morpholin-4-ylthien-2-yl)methyl]amine
C10H16N2OS (212.09832859999997)
(1-(TERT-BUTOXYCARBONYL)-1H-PYRAZOL-4-YL)BORONIC ACID
8-Isopropyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C13H12N2O (212.09495819999998)
(7R,9AR)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE
4-PHENYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1(2H)-ONE
C13H12N2O (212.09495819999998)
3-Ammonio-8-methyl-8-azoniabicyclo[3.2.1]octane dichloride
C8H18Cl2N2 (212.08469680000002)
1-(3-Pyridinyl)cyclohexanamine hydrochloride (1:1)
1-(2-Pyridinyl)cyclohexanamine hydrochloride (1:1)
N-ETHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINAMINE HYDROCHLORIDE
4-fluoro-5-isopropyl-2-methoxyphenylboronic acid
C10H14BFO3 (212.10199760000003)
1-Cyclobutyl-piperazine dihydrochloride
C8H18Cl2N2 (212.08469680000002)
(3S,6S,8AS)-METHYL 6-AMINO-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE
3-Phenyl-5,6,7,8-tetrahydro-pyrido[4,3-e][1,2,4]triazine
(2-Butoxy-5-fluorophenyl)boronic acid
C10H14BFO3 (212.10199760000003)
4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
2-Butoxy-6-fluorophenylboronic acid
C10H14BFO3 (212.10199760000003)
4-Biphenylcarboxylic acid hydrazide
C13H12N2O (212.09495819999998)
Butyl 3,3,3-trifluoro-2,2-dimethylpropanoate
C9H15F3O2 (212.10240860000002)
2-(chloromethyl)oxirane: N,N-dimethylpropane-1,3-diamine
N-(4-METHYL-PYRIDIN-3-YL)-BENZAMIDE
C13H12N2O (212.09495819999998)
1-propylene-3-methylimidazolium tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
2-Methyl-2,7-diazaspiro[4.4]nonane dihydrochloride
C8H18Cl2N2 (212.08469680000002)
1-(2,3-EPOXYPROPYL)-4-TERT-BUTOXYCARBONYLPIPERAZINE
2-VINYLCYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
Spiro[3.3]heptane-2,6-dicarboxylicacid, 2-ethyl ester
(2-Fluoro-3-isobutoxyphenyl)boronic acid
C10H14BFO3 (212.10199760000003)
tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
2,3-dihydro-1h-cyclopenta[a]naphthalene-2-carboxylic acid
(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methanol
C13H12N2O (212.09495819999998)
3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL)ACETICACID
5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
2-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE
C13H12N2O (212.09495819999998)
5-[(1-Indolyl)Methyl]-3-Methylisoxazole
C13H12N2O (212.09495819999998)
5-amino-3-ethyl-1-phenyl-1H-pyrazole-4-carbonitrile
Cordysinin D
C13H12N2O (212.09495819999998)
A member of the class of beta-carbolines that is beta-carboline substituted by a 1-hydroxyethyl group at position 1 (the S enantiomer). It has been isolated from the mycelia of Cordyceps sinensis.
1-(Furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
C10H16N2OS (212.09832859999997)
Cordysinin C
C13H12N2O (212.09495819999998)
A member of the class of beta-carbolines that is beta-carboline substituted by a 1-hydroxyethyl group at position 1 (the R enantiomer). It has been isolated from the mycelia of Cordyceps sinensis.
4,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-imidazole-2-thiol
C10H16N2OS (212.09832859999997)
(E)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid
Yageine
C13H12N2O (212.09495819999998)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
(2S,3S,4S)-3-(carboxylatomethyl)-4-prop-1-en-2-ylpyrrolidin-1-ium-2-carboxylate
(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-indene-4-carboxylic acid
Gly-His zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of glycyl-L-histidine; major species at pH 7.3.
Dihydrocanadensolide
A member of the class of furofurans that is tetrahydrofuro[3,4-b]furan-2,4-dione substituted at positions 3 and 6 by methyl and butyl groups respectively (the 3R,3aR,6S,6aS-stereoisomer).
N-(2-Hydroxyethyl)-N,N-Dimethyl-3-Sulfopropan-1-Aminium
N-benzoyl-1-methylpyridin-4(1H)-imine
C13H12N2O (212.09495819999998)
(1R)-1-[(2S,3S)-3-[2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]-2-oxiranyl]ethenyl]-2-oxiranyl]-2-propen-1-ol
(1R)-1-[(2S,3R)-3-[2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
2-Fluoro-3,7-bis(methoxymethyl)cyclohepta-2,4,6-trien-1-one
MeIQ
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
BURIMAMIDE
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
1,3-Diphenylurea
C13H12N2O (212.09495819999998)
A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera).
SIRT-IN-3
C13H12N2O (212.09495819999998)
SIRT-IN-3 is a potent SIRT inhibitor, with an IC50 of 17 μM for SIRT1. SIRT-IN-3 shows about 4-fold and 14-fold selectivity for SIRT1 over SIRT2 and SIRT3, respectively (IC50 of 74 μM and 235 μM for SIRT2 and SIRT3, respectively)[1].
6-[(3s)-3-hydroxybutan-2-yl]-4-methoxy-5-methylpyran-2-one
2-(1,5-dihydroxypent-2-en-2-yl)-3-(hydroxymethyl)cyclopent-2-en-1-one
6-(3-hydroxybutan-2-yl)-4-methoxy-5-methylpyran-2-one
4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde
(1r)-1-[(2s,3s)-3-[(1e)-2-[(3s)-3-[(1r)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
10,10-dimethyl-4-oxatricyclo[7.4.1.0³,⁷]tetradeca-1,3(7),5,8,12-pentaene
(1r,2r,3s,4r)-2-(3-methylbut-3-en-1-yn-1-yl)cyclohexane-1,2,3,4-tetrol
4-(hydroxymethyl)-2-(3-methylbutyl)furan-3-carboxylic acid
(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one
(3as,5r,7as)-5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one
1-Acetyl-4,6,8-trimethylazulene
{"Ingredient_id": "HBIN002254","Ingredient_name": "1-Acetyl-4,6,8-trimethylazulene","Alias": "1-(4,6,8-trimethylazulen-1-yl)ethanone; 1-(4,6,8-Trimethyl-1-azulenyl)ethanone","Ingredient_formula": "C15H16O","Ingredient_Smile": "CC1=CC(=C2C=CC(=C2C(=C1)C)C(=O)C)C","Ingredient_weight": "212.29 g/mol","OB_score": "27.02153399","CAS_id": "NA","SymMap_id": "SMIT07226","TCMID_id": "NA","TCMSP_id": "MOL005474","TCM_ID_id": "NA","PubChem_id": "607590","DrugBank_id": "NA"}
2(3h)-phenanthrenone,4,4a,9,10-tetrahydro-4a-methyl
{"Ingredient_id": "HBIN004104","Ingredient_name": "2(3h)-phenanthrenone,4,4a,9,10-tetrahydro-4a-methyl","Alias": "NA","Ingredient_formula": "C15H16O","Ingredient_Smile": "CC12CCC(=O)C=C1CCC3=CC=CC=C23","Ingredient_weight": "212.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9068","PubChem_id": "607587","DrugBank_id": "NA"}
11,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(10),3(7),5,11,13-pentaene
1-{3h,4h-pyrido[3,4-b]indol-9-yl}ethanone
C13H12N2O (212.09495819999998)
2-[(2z)-1,5-dihydroxypent-2-en-2-yl]-3-(hydroxymethyl)cyclopent-2-en-1-one
5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one
(3r,6s,7r)-6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one
(2r,3s)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid
methyl (2s,3r,5e)-5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate
(2s)-4-methyl-5-oxo-2-pentyl-2h-furan-3-carboxylic acid
(4s,4as,7as)-4,7-bis(hydroxymethyl)-4-methyl-1h,4ah,5h,7ah-cyclopenta[c]pyran-3-one
(3as,5r,7ar)-5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one
(3s,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
3-(2-ethyl-1,3-oxazol-5-yl)-1h-indole
C13H12N2O (212.09495819999998)
4-methyl-7-(propan-2-ylidene)-6h-azulene-1-carbaldehyde
13,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,10,12-pentaene
methyl 5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate
3-ethyl-4-hydroxy-6-[(2s)-3-hydroxybutan-2-yl]pyran-2-one
4-methyl-5-oxo-2-pentyl-2h-furan-3-carboxylic acid
5-[(1r)-1-hydroxybutyl]-4-methoxy-6-methylpyran-2-one
(2e)-4-[(3r,5s)-5-[(1s)-1-hydroxypropyl]-2-oxooxolan-3-yl]but-2-enal
3-ethyl-1h-pyrazolo[1,5-b]isoquinolin-9-one
C13H12N2O (212.09495819999998)
5-[(2s)-2-hydroxybutyl]-4-methoxy-6-methylpyran-2-one
(2r,4r,8s)-8-hydroxy-4-methoxy-2-methyl-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one
(7s)-4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde
(2s)-2-[(2-amino-1-hydroxyethylidene)amino]-3-(3h-imidazol-4-yl)propanoic acid
1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
(5z)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-propylfuran-2-one
(6r,7r)-6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one
(2s,3r)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid
(3e,5e,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one
(4bs)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one
(3r,3ar,6r,6as)-6-butyl-3-methyl-tetrahydrofuro[3,4-b]furan-2,4-dione
(5z)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-propylfuran-2-one
6-butyl-3-methyl-tetrahydrofuro[3,4-b]furan-2,4-dione
(3s,8e,10e)-pentadeca-1,8,10,14-tetraen-4,6-diyn-3-ol
4-[(1s,2s)-2-hydroxy-1-methoxypropyl]-2-methoxyphenol
4-hydroxy-6-[(2r,3r)-3-hydroxybutan-2-yl]-3,5-dimethylpyran-2-one
5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one
(5e)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-propylfuran-2-one
(3r,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
(3e,5z,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one
(2r,4r,6s)-6-hydroxy-4-methoxy-2-methyl-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one
7-methoxy-4-methyl-9h-pyrido[3,4-b]indole
C13H12N2O (212.09495819999998)
2-[(2e)-1,5-dihydroxypent-2-en-2-yl]-3-(hydroxymethyl)cyclopent-2-en-1-one
(1r,2r)-1-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol
(5e)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-propylfuran-2-one
5-[(1s)-1-hydroxybutyl]-4-methoxy-6-methylpyran-2-one
1-(3-{2-[3-(1-hydroxyethyl)oxiran-2-yl]ethenyl}oxiran-2-yl)prop-2-en-1-ol
(1r,2s)-1-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol
1-{9h-pyrido[3,4-b]indol-1-yl}ethanol
C13H12N2O (212.09495819999998)