Compound Identification
SMILES
CN(C)[C@@H]1C(=O)[C@@H](C(N)=O)C(=O)[C@@]2(C#N)C(=O)[C@H]3C(=O)c4c(O)ccc(-c5cccc(c5)C(N)=O)c4C[C@@]3(N)C[C@@]12N
InChIKey
InChIKey=BOJFZFVRNIVOSH-USOPMLABSA-N
Formula
C29H28N6O7
Mass
572.578
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 Naphthalenecarboxamides Tetralins Benzamides Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Beta-diketones Aralkylamines Vinylogous acids Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Cyclic ketones Nitriles Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 2-naphthalenecarboxamide - Tetralin - Benzamide - Benzoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Benzoyl - 1,3-diketone - Aralkylamine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Ketone - Cyclic ketone - Tertiary aliphatic amine - Primary carboxylic acid amide - Tertiary amine - Carbonitrile - Carboxylic acid derivative - Nitrile - Primary aliphatic amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Cyanide - Organic oxide - 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