Compound Identification
SMILES
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(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=CZYUKDKYUQQMRT-MRIRCZJZSA-N
Formula
C51H70N10O20
Mass
1143.171
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 N-acyl-alpha amino acids and derivatives Alpha amino acid amides Serine and derivatives O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides N-acyl amines Vinylogous acids Alpha-hydroxy ketones Acetamides Tertiary alcohols Guanidines Secondary alcohols Secondary carboxylic acid amides Carboximidamides Polyols Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Organic oxides Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Tetracenequinone - Alpha peptide - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - O-glycosyl compound - Glycosyl compound - Tetralin - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - N-acyl-amine - Fatty acyl - Fatty amide - Oxane - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Acetamide - Tertiary alcohol - Ketone - Guanidine - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Polyol - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Primary alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organonitrogen 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