Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(CC(O[C@H]4C[C@H](NC(=O)CCC(O)=O)[C@H](O)[C@@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=DFXVWWSCINJNIZ-LLKBMLKJSA-N
Formula
C31H33NO14
Mass
643.598
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 O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers Monosaccharides N-acyl amines Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Acetals Monocarboxylic acids and derivatives Carboxylic acids Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acyl - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxide - Organooxygen compound - 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