Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(C)=O)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=WMMDWCWHMHGCSH-UHFFFAOYSA-N
Formula
C29H31NO12
Mass
585.562
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 Oxanes Acetamides Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Acetamide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Polyol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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