Compound Identification
SMILES
COC1=CC(=O)CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(C4CC(N)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=NDFGJPLGGRHWOO-UHFFFAOYSA-N
Formula
C27H29NO11
Mass
543.525
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 Tetralins Naphthalenes Quinones Aryl ketones Aralkylamines Phenols Oxanes Vinylogous esters Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones 1,2-aminoalcohols Secondary alcohols Dialkyl ethers Oxacyclic compounds Polyols Hydrocarbon derivatives Primary alcohols Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Naphthalene - Tetralin - Quinone - Aryl ketone - Aralkylamine - Phenol - Oxane - Benzenoid - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous ester - Cyclic ketone - Secondary alcohol - 1,2-aminoalcohol - Ketone - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Primary aliphatic amine - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - 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