Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(N)CC(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=ITSGNOIFAJAQHJ-MIXSKTQYSA-N
Formula
C27H29NO10
Mass
527.526
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 Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aldehydes Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Ketone - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Primary alcohol - Organic nitrogen compound - Aldehyde - Primary amine - 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