Compound Identification
SMILES
CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(=O)NCN2CCCC2)C1(N)O)C(=O)C1=C(C=CC=C1O)C3(C)O
InChIKey
InChIKey=WMQNQVGBAOMTPS-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 Naphthalenecarboxamides Beta amino acids and derivatives Tetralins Aryl ketones Aralkylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1,3-dicarbonyl compounds N-alkylpyrrolidines Vinylogous acids Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Cyclic alcohols and derivatives Hemiaminals Azacyclic compounds Enols Polyols Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 2-naphthalenecarboxamide - Beta amino acid or derivatives - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - 1,3-dicarbonyl compound - N-alkylpyrrolidine - Benzenoid - Cyclic alcohol - Pyrrolidine - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Hemiaminal - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Enol - Alkanolamine - Polyol - Organic oxide - Alcohol - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - 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