Compound Identification
SMILES
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCN=C(N)N)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=PFNDKAQYHYIDDU-ANVJPFBDSA-N
Formula
C62H88N10O22
Mass
1325.434
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 Glutamic acid and derivatives 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 Tertiary alcohols Acetamides Guanidines Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Acetals Oxacyclic compounds Polyols Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Glutamic acid 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 - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acyl - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Fatty amide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Acetamide - Carboxamide group - Guanidine - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Acetal - Polyol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - 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