Structure Information
Structure

Compound Identification

SMILES

CN(C)C1C2CC3C(C(=O)C4=C(C=CC=C4O)C3(C)O)C(N)(O)C2(O)C(=O)C(C(=O)NCN2CCCC2)=C1O

InChIKey

InChIKey=JUPQNAWWXCVXGN-UHFFFAOYSA-N

Formula

C27H36N4O8

Mass

544.605

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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 heteropolycyclic compounds

Substituents

Tetracycline - Anthracene carboxylic acid or derivatives - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Cyclic alcohol - Pyrrolidine - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Hemiaminal - Ketone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Polyol - Azacycle - Alkanolamine - Carboxylic acid derivative - Enol - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic 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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