Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(N)CC(C)C)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=DZINNPYMYFDDHL-UHFFFAOYSA-N
Formula
C33H40N2O11
Mass
640.686
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 Leucine and derivatives Alpha amino acid amides Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers N-acyl amines Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Polyols Acetals Oxacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Leucine or derivatives - Alpha-amino acid amide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Fatty amide - Fatty acyl - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Carboxamide group - Amino acid or derivatives - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Polyol - Ether - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - 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