Compound Identification
SMILES
[Na+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(NC(=O)C(N)CCN)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=HHPKACMRFLEARL-LJHXOXNFSA-M
Formula
C31H37ClN3NaO11
Mass
686.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Anthracyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Anthracyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracyclines
Alternative Parents
Tetracenequinones Anthraquinones Alpha amino acid amides Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Acetals Polyols Oxacyclic compounds Organic metal halides Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds Aldehydes Hydrocarbon derivatives Monoalkylamines Organic chloride salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Alpha-amino acid amide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Alpha-amino acid or derivatives - Anisole - Aryl ketone - Alkyl aryl ether - N-acyl-amine - Monosaccharide - Fatty amide - Oxane - Fatty acyl - Benzenoid - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Organic alkali metal salt - Organic metal halide - Polyol - Carboxylic acid derivative - Ether - Acetal - Oxacycle - Alcohol - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aldehyde - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic sodium salt - Organic nitrogen compound - Organic salt - Organooxygen compound - Organic zwitterion - Amine - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
External Descriptors
Not available