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@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)CNC(C)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=XRUHBPBCVITMSH-MXNXFXHISA-N
Formula
C56H77N7O18
Mass
1136.263
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
Oligopeptides Tetracenequinones Anthraquinones Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides O-glycosyl compounds Tetralins Aryl ketones Pyrrolidinecarboxamides N-acylpyrrolidines Anisoles Alkyl aryl ethers Monosaccharides N-acyl amines Oxanes Acetamides Tertiary alcohols Tertiary carboxylic acid amides Alpha-hydroxy ketones Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Acetals Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Aldehydes Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Tetralin - Anisole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Aryl ketone - N-acylpyrrolidine - Alkyl aryl ether - Fatty acyl - Fatty amide - Monosaccharide - N-acyl-amine - Benzenoid - Oxane - Pyrrolidine - Alpha-hydroxy ketone - Tertiary alcohol - Tertiary carboxylic acid amide - Acetamide - Vinylogous acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Oxacycle - Azacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Primary alcohol - Organopnictogen compound - 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