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](CC5=CC=C(O)C=C5)NC(=O)[C@H](COCC5=CC=CC=C5)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=UVHMQGGTGMFQGS-SGNRGUGSSA-N
Formula
C65H81N7O19
Mass
1264.393
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 Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides O-glycosyl compounds Tetralins Amphetamines and derivatives Benzylethers Anisoles Aryl ketones Pyrrolidinecarboxamides Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes N-acyl amines Monosaccharides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Dialkylamines Dialkyl ethers Acetals Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Alpha peptide - Tetracenequinone - Tyrosine or derivatives - Phenylalanine or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Leucine or derivatives - Anthracene - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-substituted-alpha-amino acid - Tetralin - Benzylether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Anisole - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Vinylogous acid - Pyrrolidine - Tertiary alcohol - Alpha-hydroxy ketone - Amino acid or derivatives - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Polyol - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Acetal - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Aldehyde - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - 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