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](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)CCCC(O)=O)C5CCCCC5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=CZXGBIFEWYVYJY-NPLULESDSA-N
Formula
C65H89N9O25
Mass
1396.465
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 Glutamine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives O-glycosyl compounds Tetralins Anisoles Aryl ketones N-acylpyrrolidines Pyrrolidinecarboxamides Alkyl aryl ethers N-acyl amines Oxanes Monosaccharides Alpha-hydroxy ketones Tertiary alcohols Tertiary carboxylic acid amides Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Carboxylic acids Azacyclic compounds Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Glutamine or derivatives - Leucine or derivatives - Anthracene - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Glycosyl compound - O-glycosyl compound - Alanine or derivatives - Alpha-amino acid or derivatives - Tetralin - N-substituted-alpha-amino acid - Aryl ketone - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Anisole - Alkyl aryl ether - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Oxane - Pyrrolidine - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Tertiary carboxylic acid amide - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Polyol - Oxacycle - Azacycle - Acetal - Organoheterocyclic compound - Organic oxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aldehyde - Organooxygen compound - Alcohol - Organic nitrogen 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