Compound Identification
SMILES
NC(=O)C1=C(O)[C@]2(O)[C@H](CC1=O)CC1=C(C(O)=C3C(O)=C(C=C(Cl)C3=C1)S(O)(=O)=O)C2=O
InChIKey
InChIKey=QTYTWZBKDNVDCH-PVDFSEMESA-N
Formula
C19H14ClNO10S
Mass
483.83
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 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Chloronaphthalenes Naphthols and derivatives Tetralins 1-sulfo,2-unsubstituted aromatic compounds Aryl alkyl ketones Halophenols 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Aryl chlorides Vinylogous acids Tertiary alcohols Sulfonyls Organosulfonic acids Primary carboxylic acid amides Polyols Enols Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - Naphthalene sulfonate - 2-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - 1-naphthol - Tetralin - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 4-halophenol - Aryl alkyl ketone - Aryl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Cyclohexenone - Aryl halide - Aryl chloride - Benzenoid - Vinylogous acid - Tertiary alcohol - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Primary carboxylic acid amide - Carboxamide group - Ketone - Cyclic ketone - Polyol - Carboxylic acid derivative - Enol - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organic nitrogen compound - Organohalogen 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