Compound Identification
SMILES
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H]1C[C@H](O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)O[C@@H](C)[C@H]1O
InChIKey
InChIKey=DGPUTUPTBLFABB-AIUCNRMHSA-N
Formula
C61H81N9O22
Mass
1292.36
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 Tyrosine and derivatives Phenylalanine and derivatives Anthraquinones Glutamine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Serine and derivatives O-glycosyl compounds Tetralins Amphetamines and derivatives Anisoles Aryl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides N-acyl amines Acetamides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Acetals Polyols Oxacyclic compounds Aldehydes Organopnictogen compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Alpha-oligopeptide - Tetracenequinone - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Glutamine or derivatives - Anthracene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - O-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Tetralin - Anisole - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Acetamide - Tertiary alcohol - Amino acid or derivatives - Ketone - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid derivative - Polyol - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Primary aliphatic amine - Amine - Alcohol - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aldehyde - Primary 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