Structure Information
Structure

Compound Identification

SMILES

CNC[C@H](O)C1=CC(O)=C(O)C=C1.CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O

InChIKey

InChIKey=AROACZZFSRTWRG-UZMZCMGPSA-N

Formula

C20H29N3O5

Mass

391.468

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Catechols

Alternative Parents

Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols

Molecular Framework

Not available

Substituents

Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Aromatic alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

External Descriptors

Not available

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