Compound Identification
SMILES
CN[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O
InChIKey
InChIKey=WKIZTXIDFJKNPM-ZLLMOTFPSA-N
Formula
C21H22N2O9
Mass
446.412
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Tetracyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tetracyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetracyclines
Alternative Parents
Naphthacenes Anthracenecarboxylic acids and derivatives Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones Vinylogous acids Tertiary alcohols Secondary alcohols Primary carboxylic acid amides Amino acids and derivatives Polyols Enols Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Naphthacene - Tetracene - Anthracene carboxylic acid or derivatives - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Ketone - Primary carboxylic acid amide - Secondary alcohol - Polyol - Enol - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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