Compound Identification
SMILES
O.Cl.Cl.CCO.[H][C@]1(C)C2=C(C(O)=CC=C2)C(=O)C2=C(O)[C@]3(O)C(=O)C(C(O)=N)=C(O)[C@@]([H])(N(C)C)[C@]3([H])[C@@]([H])(O)[C@]12[H].[H][C@]1(C)C2=C(C(O)=CC=C2)C(=O)C2=C(O)[C@]3(O)C(=O)C(C(O)=N)=C(O)[C@@]([H])(N(C)C)[C@]3([H])[C@@]([H])(O)[C@]12[H]
InChIKey
InChIKey=HALQELOKLVRWRI-VDBOFHIQSA-N
Formula
C46H58Cl2N4O18
Mass
1025.88
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
Naphthacenes Anthracenecarboxylic acids and derivatives Tetralins Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Vinylogous acids Secondary alcohols Primary carboxylic acid amides Amino acids and derivatives Trialkylamines Polyols Enols Carboximidic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Not available
Substituents
Tetracycline - Naphthacene - Tetracene - Anthracene carboxylic acid or derivatives - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Tertiary alcohol - Vinylogous acid - Amino acid or derivatives - Carboxamide group - Ketone - Primary carboxylic acid amide - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboximidic acid - Polyol - Carboximidic acid derivative - Carboxylic acid derivative - Enol - Primary alcohol - Organic oxygen compound - Alcohol - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Hydrochloride - 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
CHEBI:34730 : hydrate