Compound Identification
SMILES
OS(O)(=O)=O.CN(C)[C@H]1C2CC3Cc4c(I)cc(NC=O)c(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O
InChIKey
InChIKey=FIHWREGQODLFPI-HETMQKTDSA-N
Formula
C22H24IN3O12S
Mass
681.41
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 N-arylamides Aralkylamines Cyclohexenones Organic sulfuric acids Aryl iodides Vinylogous acids Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids and derivatives Cyclic alcohols and derivatives Polyols Enols Organic oxides Organoiodides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - N-arylamide - 4-iodophenol - Cyclohexenone - Aralkylamine - Sulfuric acid - Aryl halide - Aryl iodide - Benzenoid - Cyclic alcohol - Vinylogous acid - Organic sulfuric acid or derivatives - Tertiary alcohol - Amino acid or derivatives - Carboxamide group - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Enol - Carboxylic acid derivative - Polyol - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Amine - Organic oxygen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - 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