Compound Identification
SMILES
CC(C)(C)CNCC1=C(O)C2=C(O)C3=C(C[C@H]4CC(=O)C(C(N)=O)=C(O)[C@@]4(O)C3=O)C=C2C(Cl)=C1
InChIKey
InChIKey=PWXLSIWKFNFETN-VDBVYFBLSA-N
Formula
C25H27ClN2O7
Mass
502.95
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 Chloronaphthalenes Naphthols and derivatives Tetralins Aryl alkyl ketones Halophenols 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones Aryl chlorides Vinylogous acids Tertiary alcohols Primary carboxylic acid amides Amino acids and derivatives Enols Dialkylamines Polyols Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - Chloronaphthalene - 1-naphthol - Naphthalene - Tetralin - 4-halophenol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Cyclohexenone - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - Cyclic ketone - Primary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enol - Organohalogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - 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