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](CCC(N)=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC5=CC=C(O)C=C5)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCN5C(=O)C=CC5=O)[C@@H](O)[C@@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=VBVLFRLLZXQMJE-RWCSWBATSA-N
Formula
C73H88N10O28
Mass
1553.549
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 Asparagine and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Alpha amino acid amides O-glycosyl compounds Tetralins Amphetamines and derivatives Anisoles Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Maleimides Alkyl aryl ethers Oxanes Monosaccharides N-acyl amines N-substituted carboxylic acid imides Tertiary alcohols Alpha-hydroxy ketones Pyrrolines Dicarboximides Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Polyols Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Primary alcohols Aldehydes Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - Tyrosine or derivatives - Phenylalanine or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Glutamine or derivatives - Asparagine 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 - Tetralin - Amphetamine or derivatives - Alpha-amino acid or derivatives - Aryl ketone - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Maleimide - Monosaccharide - N-acyl-amine - Fatty acyl - Benzenoid - Carboxylic acid imide, n-substituted - Fatty amide - Monocyclic benzene moiety - Oxane - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Carboxylic acid imide - Dicarboximide - Pyrroline - Ketone - Primary carboxylic acid amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Organooxygen 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