Compound Identification
SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C(O)=C2C1C(=O)OC)C(=O)C1=CC=CC=C1C3=O
InChIKey
InChIKey=GDZSJETVTFMKSK-SLJGSVOPSA-N
Formula
C42H55NO16
Mass
829.893
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives Disaccharides O-glycosyl compounds Tetralins Aryl ketones Oxanes Methyl esters Tertiary alcohols Vinylogous acids Secondary alcohols Trialkylamines Amino acids and derivatives Polyols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Amino saccharide - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - Methyl ester - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ketone - Secondary alcohol - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Polyol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Aldehyde - 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