Compound Identification
SMILES
OS(O)(=O)=O.CN(C)[C@H]1C2CC3Cc4c(I)cc(N)c(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O
InChIKey
InChIKey=KPIGIQBAOYWZLC-GRRWWIKUSA-N
Formula
C21H24IN3O11S
Mass
653.4
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 P-iodophenols Aralkylamines Cyclohexenones Aryl iodides Organic sulfuric acids Vinylogous acids Tertiary alcohols Primary carboxylic acid amides Cyclic alcohols and derivatives Amino acids and derivatives Trialkylamines Enols Polyols Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - 4-iodophenol - Cyclohexenone - Sulfuric acid - Aralkylamine - Aryl halide - Aryl iodide - Benzenoid - Organic sulfuric acid or derivatives - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Primary carboxylic acid amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Enol - Polyol - Organooxygen compound - Organic nitrogen compound - Amine - Primary amine - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organoiodide - 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