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=C(\CC(=O)NCCN)C(O)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=DZYDWAGTBSOGMY-YCLGCKODSA-N
Formula
C35H39N3O14
Mass
725.704
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
Tetracenequinones Anthraquinones Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers N-acyl amines Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Amino acids Acetals Monocarboxylic acids and derivatives Polyols Carboxylic acids Oxacyclic compounds Organic oxides Aldehydes Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Fatty acyl - Oxane - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Amino acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Primary amine - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen 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