Norepinephrine

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Norepinephrine

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Norepinephrine

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Norepinephrine

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Norepinephrine

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Norepinephrine (medication)

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SMILES:NCC(O)C1=CC(O)=C(O)C=C1

InChI:InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2

InChI key:SFLSHLFXELFNJZ-UHFFFAOYSA-N

Synonymes: Norartrinal, Levarterenolo [DCIT],Noradrenaline, 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol, Norepirenamine, L-2-Amino-1-(3,4-dihydroxyphenyl)ethanol, Levarterenol, L-1-(3,4-Dihydroxyphenyl)-2-aminoethanol, Levarterenolo, Ecteinascidins, Norepinephrinum, norepinephrinum, L-arterenol, (R)-(-)-Norepinephrine, Nor adrenalin (TN), Levonoradrenaline, Levonor, 51-41-2, Nor-Epirenan, Nor adrenalin, (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol,(R)-4-(1-Hydroxy-2-aminoethyl)benzene-1,2-diol, LT03330026,4-(2-Amino-1-hydroxy-ethyl)benzene-1,2-diol, Levonorepinephrine, Noreinefrina [INN-Spanish], (R)-Noradrenaline, D-(-)-Noradrenaline, Noradrenalinum, Levophed, (-)-Norepinephrine, Noreinefrina, Norepinephrinum [INN-Latin], L-alpha-(aminomethyl)-3,4-dihydroxybenzyl alcohol, (-)-Arterenol free base, Noradrenalin, L-Norepinephrine, (-)-(R)-Norepinephrine,norepinephrine, Norepinephrine l-Tartrate (1:1), Sympathin E, 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol,Norepinephrine, (R)-Norepinephrine, Norepinephrine [INN:JAN], Levoarterenol, Noradrenalina [Italian], 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(9CI), Aktamin, Norepinephrine Noradrenalin, (-)-alpha-(Aminomethyl)protocatechuyl alcohol, Noradrenaline (JP15), Adrenor, Norepinefrina, ALBB-006229, L-Noradrenaline, L-3,4-dihydroxyphenylethanolamine, Norepinephrine (INN), D53D5E3A-2360-4CA9-8031-6C2CD4062FD5

Similarités

Pouvoir identifier des molécules similaires à celle que nous étudions peut permettre d'inférer certaines de ses propriétés. Il existe plusieurs façons de mesurer la similitude entre les molécules, par leur structure, leurs effets, leurs interactions pharmacologiques, etc. Vous pouvez trouver ci-dessous des molécules similaires selon divers critères et des outils que nous avons développés. Pour comprendre les limitations de ces comparaisons, il est crucial de se référer toujours à la méthodologie utilisée pour mesurer ces similitudes.Veuillez noter : Ces informations sont fournies uniquement à des fins informatives et ne doivent pas être interprétées comme des conseils médicaux.

Pour mesurer la similarité structurelle, nous utilisons la méthode Mol2vecmol2vec, qui est un réseau neuronal qui traite les molécules et les transforme en points dans l'espace, de telle sorte que les molécules avec des sous-structures chimiquement apparentées soient transformées en points proches dans l'espace.

Propriétés moléculaires

En utilisant le modèle de KGPT Deep Learning, nous prédisons plusieurs propriétés de la molécule. Les prédictions sont regroupées par l'ensemble de données utilisé pour les obtenir. Avec chaque prédiction, nous fournissons un graphique montrant la distribution des valeurs prédites sur l'ensemble d'entraînement/test/validation. Cela donne une estimation de la fiabilité du modèle.

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.
Class
TrainValTest
2.88-3.70-1.36
Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.
p_np
TrainValTest
-2.24-3.290.40
Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.
CT_TOX
TrainValTest
-0.49-0.78-0.91
FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
1.24
TrainValTest
Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
-3.59
TrainValTest
Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.
lipoAlogP
-2.96
TrainValTest
Description: This dataset gives insights into the metabolic stability of molecules. High metabolic stability often results in a longer half-life, influencing drug dosage and frequency.
low
TrainValTest
-0.17-3.50-2.88
high
TrainValTest
0.72-3.55-0.49
27 entries
12 entries
617 entries

Perspectives avancées

Nous fournissons des analyses plus avancées sur les interactions d'une molécule avec le métabolisme humain, les sites de liaison, etc.

Affinités

Affinités de liaison avec une liste de 61 sites de liaison prédéfinis. Ces affinités sont utilisées pour calculer les similarités d'interactions.

Interaction de cette molécule avec le métabolisme

Nous utilisons un modèle d'apprentissage en profondeur pour prédire les interactions de cette molécule avec le métabolisme. Consultez la source pour comprendre la méthodologie.

Réactions qui métabolisent cette molécule
Methylation 1345
Enzymes: Catechol O-methyltransferase
Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Catechol O-methylation BTMR0212
Enzymes: 2.1.1.6
Reagents

Metabolite: InChI=1S/C9H13N...

Catechol O-methylation BTMR0213
Enzymes: 2.1.1.6
Reagents
Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C14H19...

Aromatic OH-glucuronidation BTMR0166
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C14H19...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C8H11N...

Sulfonation of phenolic compound BTMR1376
Enzymes: 2.8.2.1
Reagents

Metabolite: InChI=1S/C8H11N...

Sulfation of secondary alcohol BTMR0502
Enzymes: 2.8.2.2
Reagents

Metabolite: InChI=1S/C8H11N...

Oxidation of secondary alcohol to ketone BTMR0079
Dehydroxylation of catechol BTMR0278
Enzymes: Unspecified bacterial dehydroxylase
3'-Dehydroxylation of substituted benzene BTMR1314
Enzymes: Unspecified bacterial dehydroxylase
Methylation 1345
Enzymes: Catechol O-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C8H8O4...

Methylation 4765
Enzymes: Phenylethanolamine N-methyltransferase
Reagents

Metabolite: InChI=1S/C9H13N...

Réactions qui produisent du métabolisme à partir de cette molécule
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

O-Dealkylation BTMR0052
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Methylenedioxy ring opening BTMR1177
Enzymes: CYP1A2 CYP2D6
Products
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Deisopropylation BTMR0051
N-Dealkylation of acyclic secondary amine BTMR1140
Products

Metabolite: InChI=1S/C11H17...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
O-Dealkylation BTMR0052
Products
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzymes: CYP1A2
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

O-Hydroxylation of phenol BTMR1037
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

Reduction of carbonyl BTMR0368
Enzymes: 1.1.1.184
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C8H11N...

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Products

Metabolite: InChI=1S/C6H8O6...