Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(C(OC5CC(OC(C)=O)C(OC6CCC(=O)C(C)O6)C(C)O5)C(C)O4)N(C)C)C3=C1O)C(=O)COC(C)=O)C2=O
InChIKey
InChIKey=NAFMYBXAIRFZOB-UHFFFAOYSA-N
Formula
C45H55NO18
Mass
897.924
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 Aminoglycosides Anthraquinones Disaccharides O-glycosyl compounds Tetralins Anisoles Aryl ketones Alpha-acyloxy ketones Alkyl aryl ethers Oxanes Dicarboxylic acids and derivatives Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Carboxylic acid esters Trialkylamines Amino acids and derivatives Cyclic ketones Polyols Acetals Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alpha-acyloxy ketone - Amino saccharide - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Oxane - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Cyclic ketone - Tertiary amine - Ketone - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Organoheterocyclic compound - Polyol - Ether - Acetal - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Organonitrogen 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