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
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
Anthracenecarboxylic acids and derivatives Naphthols and derivatives Cyclohexenones Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Polyols Nitriles Enols Organic oxides Monoalkylamines Hydrocarbon derivatives
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