Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)C[C@H](NC(C)=O)C(O)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=MXVKQDZFHQKKPJ-PFZUUHRSSA-N
Formula
C33H36N2O15
Mass
700.65
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 Asparagine and derivatives N-acyl-L-alpha-amino acids O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Monosaccharides Alpha-hydroxy ketones Vinylogous acids Acetamides Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Aldehydes Organonitrogen compounds Organic oxides Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Asparagine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - O-glycosyl compound - Glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acyl - Fatty amide - Monosaccharide - N-acyl-amine - Benzenoid - Oxane - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Polyol - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Primary alcohol - Aldehyde - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Alcohol - Organic oxide - 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