Compound Identification
SMILES
C[NH+](C)[C@H]1[C@@H]2C[C@H]3[C@H](C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)C(=O)[C@@]2([O-])C(=O)C(=C(N)[O-])C1=O
InChIKey
InChIKey=RRFNZADOJUFLLE-KCDYHKOWSA-N
Formula
C22H23N2O8
Mass
443.433
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
Tetralins Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Beta-diketones Vinylogous amides Vinylogous acids Tertiary alcohols Quaternary ammonium salts Cyclic ketones Trialkylamines Ketene acetals Hydrocarbon derivatives Alkoxides Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Tetralin - Aryl ketone - Aryl alkyl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - 1,3-diketone - Benzenoid - 1,3-dicarbonyl compound - Vinylogous acid - Vinylogous amide - Quaternary ammonium salt - Tertiary alcohol - Ketene acetal or derivatives - Ketone - Tertiary aliphatic amine - Cyclic ketone - Amine - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Alkoxide - Carbonyl group - Organic cation - 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