Compound Identification
SMILES
CC1OC(CC(N)C1O)[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1C)C3=O)C(C)=O
InChIKey
InChIKey=QBQRDSPMQJTRKJ-JICIVARMSA-N
Formula
C27H29NO8
Mass
495.528
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 Aryl ketones Phenols Aralkylamines Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones 1,2-aminoalcohols Secondary alcohols Dialkyl ethers Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Aryl ketone - Phenol - Aralkylamine - Benzenoid - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Secondary alcohol - Ketone - 1,2-aminoalcohol - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Polyol - Amine - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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