Compound Identification
SMILES
COC1=C2C(=O)C3=C(C(O)=C4CC(O)(CC(OC5CC(NC=O)C(O)C(C)O5)C4=C3O)C(C)O)C(=O)C2=C(O)C=C1
InChIKey
InChIKey=MJZPYMZHBBNILO-UHFFFAOYSA-N
Formula
C28H31NO12
Mass
573.551
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 Anisoles Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monosaccharide - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Ketone - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid derivative - Polyol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - 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