Compound Identification
SMILES
Cl.Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)OC5=CC=C(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@@H](C)N)C=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=NQXFCCJGZZYUBD-IJAQDUOWSA-N
Formula
C52H62Cl2N6O16
Mass
1097.99
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 Phenylalanine and derivatives Anthraquinones N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives O-glycosyl compounds Tetralins Amphetamines and derivatives Anilides Anisoles Aryl ketones N-arylamides Phenoxy compounds Alkyl aryl ethers Oxanes Fatty amides Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Carbamate esters Secondary alcohols Secondary carboxylic acid amides Acetals Oxacyclic compounds Polyols Aldehydes Organic oxides Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-oligopeptide - Tetracenequinone - Alpha peptide - Phenylalanine or derivatives - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Alanine or derivatives - Tetralin - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Anilide - Phenoxy compound - Anisole - Aryl ketone - N-arylamide - Alkyl aryl ether - Benzenoid - Oxane - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Monosaccharide - Carbamic acid ester - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Acetal - Polyol - Oxacycle - Primary aliphatic amine - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Primary alcohol - Amine - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Primary amine - Organic nitrogen 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