Chemical Formula: C13H18N2O3

Chemical Formula C13H18N2O3

Found 71 metabolite its formula value is C13H18N2O3

Paucine

(Z,2Z)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)propa-2-enimidic acid

C13H18N2O3 (250.1317358)


N-caffeoylputrescine is a N-substituted putrescine. It is a conjugate base of a N-caffeoylputrescinium(1+). N-Caffeoylputrescine is a natural product found in Iochroma cyaneum, Solanum tuberosum, and Selaginella moellendorffii with data available. Paucine is found in avocado. Paucine is an alkaloid from the famine food Pentaclethra macrophylla and from Persea gratissima (avocado Alkaloid from the famine food Pentaclethra macrophylla and from Persea gratissima (avocado). Paucine is found in avocado and fruits.

   

Heptabarbital

5-(cyclohept-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione

C13H18N2O3 (250.1317358)


Heptabarbital is only found in individuals that have used or taken this drug. It is an intermediate or short term barbiturate used mainly for sedation and hypnosis.Heptabarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Heptabarbital also appears to bind neuronal nicotinic acetylcholine receptors. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate

   

4-Coumaroyl-2-hydroxyputrescine

(2E)-N-(4-Amino-2-hydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enimidate

C13H18N2O3 (250.1317358)


4-Coumaroyl-2-hydroxyputrescine is found in cereals and cereal products. 4-Coumaroyl-2-hydroxyputrescine is an alkaloid from Triticum aestivum (wheat). Alkaloid from Triticum aestivum (wheat). 4-Coumaroyl-2-hydroxyputrescine is found in wheat and cereals and cereal products.

   

3-Hydroxymelatonin

N-[2-(3-hydroxy-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]ethanimidic acid

C13H18N2O3 (250.1317358)


3-Hydroxymelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)

   

(2-Phenylacetyl) (2R)-2,5-diaminopentanoate

(2-Phenylacetyl) (2R)-2,5-diaminopentanoic acid

C13H18N2O3 (250.1317358)


   

Lacosamide

N-benzyl-2-[(1-hydroxyethylidene)amino]-3-methoxypropanimidic acid

C13H18N2O3 (250.1317358)


   
   

Lacosamide (racemate)

Lacosamide (racemate)

C13H18N2O3 (250.1317358)


D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D049990 - Membrane Transport Modulators

   

n,n-diisopropyl-3-nitrobenzamide

n,n-diisopropyl-3-nitrobenzamide

C13H18N2O3 (250.1317358)


   

p-Coumaroyl-2-hydroxyputrescine

p-Coumaroyl-2-hydroxyputrescine

C13H18N2O3 (250.1317358)


   

Lacosamide

Lacosamide

C13H18N2O3 (250.1317358)


D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3627

   

Caffeoyl putrescin (isomer of 390)

Caffeoyl putrescin (isomer of 390)

C13H18N2O3 (250.1317358)


Annotation level-3

   

Caffeoyl putrescin (isomer of 391)

Caffeoyl putrescin (isomer of 391)

C13H18N2O3 (250.1317358)


Annotation level-3

   

Caffeoyl putrescin (isomer of 1060)

Caffeoyl putrescin (isomer of 1060)

C13H18N2O3 (250.1317358)


Annotation level-3

   

Caffeoyl putrescin (isomer of 1059)

Caffeoyl putrescin (isomer of 1059)

C13H18N2O3 (250.1317358)


Annotation level-3

   
   

4-Coumaroyl-2-hydroxyputrescine

(2E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enamide

C13H18N2O3 (250.1317358)


   

N-(4-[1,3]DIOXOLAN-2-YL-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE

N-(4-[1,3]DIOXOLAN-2-YL-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE

C13H18N2O3 (250.1317358)


   

tert-butyl 3-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 3-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C13H18N2O3 (250.1317358)


   

Ethyl 4-(4-hydroxyphenyl)-1-piperazinecarboxylate

Ethyl 4-(4-hydroxyphenyl)-1-piperazinecarboxylate

C13H18N2O3 (250.1317358)


   

(2S,4S)-Benzyl 2-(aminomethyl)-4-hydroxy-pyrrolidine-1-carboxylate

(2S,4S)-Benzyl 2-(aminomethyl)-4-hydroxy-pyrrolidine-1-carboxylate

C13H18N2O3 (250.1317358)


   

benzyl 4-amino-2-Methyl-4-oxobutan-2-ylcarbamate

benzyl 4-amino-2-Methyl-4-oxobutan-2-ylcarbamate

C13H18N2O3 (250.1317358)


   

4-Ethyl-2-(3-methyl-4-nitrophenyl)-morpholine

4-Ethyl-2-(3-methyl-4-nitrophenyl)-morpholine

C13H18N2O3 (250.1317358)


   

(S)-benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

(S)-benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

C13H18N2O3 (250.1317358)


   

5-[cyclopropylmethyl(propyl)amino]-2-nitrophenol

5-[cyclopropylmethyl(propyl)amino]-2-nitrophenol

C13H18N2O3 (250.1317358)


   

tert-butyl 3-pyridin-4-yloxyazetidine-1-carboxylate

tert-butyl 3-pyridin-4-yloxyazetidine-1-carboxylate

C13H18N2O3 (250.1317358)


   

3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone

3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone

C13H18N2O3 (250.1317358)


   
   

(2-HYDROXY-5-METHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE

(2-HYDROXY-5-METHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE

C13H18N2O3 (250.1317358)


   

1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-

1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-(HYDROXYMETHYL)-, PHENYLMETHYL ESTER, (3R,4R)-

C13H18N2O3 (250.1317358)


   

Benzyl cis-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate

Benzyl cis-3-amino-4-(hydroxymethyl)-1-pyrrolidinecarboxylate

C13H18N2O3 (250.1317358)


   

N-[3-(1,3-dioxolan-2-yl)pyridin-4-yl]-2,2-dimethylpropanamide

N-[3-(1,3-dioxolan-2-yl)pyridin-4-yl]-2,2-dimethylpropanamide

C13H18N2O3 (250.1317358)


   

TERT-BUTYL 6-FORMYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2(1H)-CARBOXYLATE

TERT-BUTYL 6-FORMYL-3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2(1H)-CARBOXYLATE

C13H18N2O3 (250.1317358)


   

4-(Cyclohexylamino)-3-nitrobenzenemethanol

4-(Cyclohexylamino)-3-nitrobenzenemethanol

C13H18N2O3 (250.1317358)


   

1-(3-(4-NITROPHENOXY)PROPYL)PYRROLIDINE

1-(3-(4-NITROPHENOXY)PROPYL)PYRROLIDINE

C13H18N2O3 (250.1317358)


   

1-Benzyl-4-(nitromethyl)piperidin-4-ol

1-Benzyl-4-(nitromethyl)piperidin-4-ol

C13H18N2O3 (250.1317358)


   

1-Cbz-3-amino-4-hydroxyMethylpyrrolidine

1-Cbz-3-amino-4-hydroxyMethylpyrrolidine

C13H18N2O3 (250.1317358)


   

BENZYL (MORPHOLIN-3-YLMETHYL)CARBAMATE

BENZYL (MORPHOLIN-3-YLMETHYL)CARBAMATE

C13H18N2O3 (250.1317358)


   

benzyl 2-(aminomethyl)morpholine-4-carboxylate

benzyl 2-(aminomethyl)morpholine-4-carboxylate

C13H18N2O3 (250.1317358)


   

tert-Butyl 2-oxo-1,2,7,8-tetrahydro-1,6-naphthyridine-6(5H)-carboxylate

tert-Butyl 2-oxo-1,2,7,8-tetrahydro-1,6-naphthyridine-6(5H)-carboxylate

C13H18N2O3 (250.1317358)


   

3-AMINO-4-MORPHOLIN-4-YL-BENZOIC ACID ETHYL ESTER

3-AMINO-4-MORPHOLIN-4-YL-BENZOIC ACID ETHYL ESTER

C13H18N2O3 (250.1317358)


   

tert-butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate

tert-butyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate

C13H18N2O3 (250.1317358)


   

Methyl 3-amino-4-(butyrylamino)-5-methylbenzoate

Methyl 3-amino-4-(butyrylamino)-5-methylbenzoate

C13H18N2O3 (250.1317358)


   
   

ISOPROPYL 2-MORPHOLINOPYRIDINE-4-CARBOXYLATE

ISOPROPYL 2-MORPHOLINOPYRIDINE-4-CARBOXYLATE

C13H18N2O3 (250.1317358)


   
   

(S)-BENZYL (MORPHOLIN-2-YLMETHYL)CARBAMATE

(S)-BENZYL (MORPHOLIN-2-YLMETHYL)CARBAMATE

C13H18N2O3 (250.1317358)


   

(S)-2-Acetamido-N-benzyl-3-methoxypropanamide

(S)-2-Acetamido-N-benzyl-3-methoxypropanamide

C13H18N2O3 (250.1317358)


   

ethyl 2-[(2-methoxy-5-methylphenyl)hydrazinylidene]propanoate

ethyl 2-[(2-methoxy-5-methylphenyl)hydrazinylidene]propanoate

C13H18N2O3 (250.1317358)


   

(S)-4-Cbz-3-(aMinoMethyl)Morpholine

(S)-4-Cbz-3-(aMinoMethyl)Morpholine

C13H18N2O3 (250.1317358)


   

(R)-4-Cbz-3-(aMinoMethyl)Morpholine

(R)-4-Cbz-3-(aMinoMethyl)Morpholine

C13H18N2O3 (250.1317358)


   

benzyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate

benzyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate

C13H18N2O3 (250.1317358)


   

4-(N-MORPHOLINO)-N-METHY-N-METHOXYBENZAMIDE

4-(N-MORPHOLINO)-N-METHY-N-METHOXYBENZAMIDE

C13H18N2O3 (250.1317358)


   

Nepsilon-Benzoyl-L-lysine

Nepsilon-Benzoyl-L-lysine

C13H18N2O3 (250.1317358)


   

Benzyl 3-(hydroxymethyl)-1-piperazinecarboxylate

Benzyl 3-(hydroxymethyl)-1-piperazinecarboxylate

C13H18N2O3 (250.1317358)


   

1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

1,4,4-TRIMETHYL-7-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

C13H18N2O3 (250.1317358)


   

1-N-CBZ-2-HYDROXYMETHYLPIPERAZINE

1-N-CBZ-2-HYDROXYMETHYLPIPERAZINE

C13H18N2O3 (250.1317358)


   

N-(2,3-DIMETHYL-4-NITROPHENYL)-2,2-DIMETHYLPROPIONAMIDE

N-(2,3-DIMETHYL-4-NITROPHENYL)-2,2-DIMETHYLPROPIONAMIDE

C13H18N2O3 (250.1317358)


   

N-(2,3-Dimethyl-6-nitrophenyl)-2,2-dimethylpropanamide

N-(2,3-Dimethyl-6-nitrophenyl)-2,2-dimethylpropanamide

C13H18N2O3 (250.1317358)


   

N-hexanoyl-2-hydroxybenzohydrazide

N-hexanoyl-2-hydroxybenzohydrazide

C13H18N2O3 (250.1317358)


   

4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-, ethyl ester

4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-6-methyl-4-oxo-, ethyl ester

C13H18N2O3 (250.1317358)


   

4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-7-methyl-4-oxo-, ethyl ester

4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,7,8,9-tetrahydro-7-methyl-4-oxo-, ethyl ester

C13H18N2O3 (250.1317358)


   

4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8-tetrahydro-1,6-dimethyl-4-oxo-, ethyl ester

4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8-tetrahydro-1,6-dimethyl-4-oxo-, ethyl ester

C13H18N2O3 (250.1317358)


   

6-(phenylcarbamoylamino)hexanoic Acid

6-(phenylcarbamoylamino)hexanoic Acid

C13H18N2O3 (250.1317358)


   

Paucine

2-Propenamide, N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)-, (2E)-

C13H18N2O3 (250.1317358)


N-caffeoylputrescine is a N-substituted putrescine. It is a conjugate base of a N-caffeoylputrescinium(1+). N-Caffeoylputrescine is a natural product found in Iochroma cyaneum, Solanum tuberosum, and Selaginella moellendorffii with data available.

   

Heptabarbital

Heptabarbital

C13H18N2O3 (250.1317358)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate

   
   

caffeoylputrescine

N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

C13H18N2O3 (250.1317358)


   

1-Phenylurea-3-hexanoic acid

1-Phenylurea-3-hexanoic acid

C13H18N2O3 (250.1317358)


   

Phenylureahexanoic acid

Phenylureahexanoic acid

C13H18N2O3 (250.1317358)


   

ALDH3A1-IN-1

ALDH3A1-IN-1

C13H18N2O3 (250.1317358)


ALDH3A1-IN-1 (Compound 18) is a potent inhibitor of ALDH3A1 with an IC50 of 1.61 μM. ALDH3A1-IN-1 is more potent than DEAB against patient-derived primary prostate tumor epithelial cells, as single agents or in combination research with docetaxel[1].