Compound Identification
SMILES
CN(C)C1C2CC3C(C(=O)C4=C(C=CC=C4O)C3(C)O)C(N)(O)C2(O)C(=O)C(C(=O)NCN2CCCC2)=C1O
InChIKey
InChIKey=JUPQNAWWXCVXGN-UHFFFAOYSA-N
Formula
C27H36N4O8
Mass
544.605
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 Tetralins Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones N-alkylpyrrolidines Vinylogous acids Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Hemiaminals Cyclic alcohols and derivatives Polyols Enols Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Cyclic alcohol - Pyrrolidine - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Hemiaminal - Ketone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Polyol - Azacycle - Alkanolamine - Carboxylic acid derivative - Enol - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic 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