Compound Identification
SMILES
CCCCCCCC(=O)NC1CC(O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)OC(C)C1O
InChIKey
InChIKey=PDNTXIRYPLVDEG-ARMARTFESA-N
Formula
C35H43NO12
Mass
669.724
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 O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Monosaccharides N-acyl amines Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Organopnictogen compounds Hydrocarbon derivatives Primary alcohols Aldehydes Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - N-acyl-amine - Fatty amide - Oxane - Benzenoid - Fatty acyl - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Ketone - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Ether - Acetal - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Primary alcohol - Aldehyde - Alcohol - Organooxygen 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