Structure Information
Structure

Compound Identification

SMILES

CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(C#N)C(=O)C3=C(O)C4=C(O)C=CC(C=C5CCC5)=C4C[C@@]3(N)C[C@@]12N

InChIKey

InChIKey=KDNGBZIBWBBALZ-ORZNUPDKSA-N

Formula

C27H29N5O6

Mass

519.558

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Tetracyclines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetracyclines

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Aralkylamine - Benzenoid - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Ketone - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Carboxylic acid derivative - Polyol - Enol - Nitrile - Carbonitrile - Organic oxide - Cyanide - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.

External Descriptors

Not available

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