Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)CNCC1=C(O)C2=C(O)C3=C(C[C@H]4CC(=O)C(C(N)=O)=C(O)[C@@]4(O)C3=O)C=C2C(Cl)=C1

InChIKey

InChIKey=PWXLSIWKFNFETN-VDBVYFBLSA-N

Formula

C25H27ClN2O7

Mass

502.95

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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 - Chloronaphthalene - 1-naphthol - Naphthalene - Tetralin - 4-halophenol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Cyclohexenone - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - Cyclic ketone - Primary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enol - Organohalogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - 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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