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(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]5C[C@H](O)CN5C(C)=O)C5CCCCC5)[C@@H](O)[C@@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=GCFWZNYMSAWITM-KJBXPNKOSA-N
Formula
C62H85N9O23
Mass
1324.402
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 Pyrrolidinecarboxamides Anisoles Aryl ketones N-acylpyrrolidines Alkyl aryl ethers Oxanes Monosaccharides N-acyl amines Tertiary alcohols Alpha-hydroxy ketones Acetamides Vinylogous acids Tertiary carboxylic acid amides Primary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Polyols Acetals Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Glutamine or derivatives - Leucine or derivatives - Anthracene - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Serine or derivatives - Alpha-amino acid amide - Alanine or derivatives - O-glycosyl compound - Glycosyl compound - Tetralin - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Aryl ketone - Anisole - Alkyl aryl ether - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Benzenoid - Oxane - Acetamide - Vinylogous acid - Alpha-hydroxy ketone - Tertiary carboxylic acid amide - Tertiary alcohol - Pyrrolidine - Ketone - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Secondary alcohol - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Ether - Primary alcohol - Organic nitrogen compound - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - 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