Compound Identification
SMILES
NCC1=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=UANPMDBYHYOLQR-FHZGZLOMSA-N
Formula
C20H17ClN2O7
Mass
432.81
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 Chloronaphthalenes 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 Polyols Enols Monoalkylamines Organic oxides Hydrocarbon derivatives Organochlorides
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 - Primary carboxylic acid amide - Cyclic ketone - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Enol - Hydrocarbon derivative - Primary aliphatic amine - Organic oxygen compound - Alcohol - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organic nitrogen compound - 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