Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)C(N)C(C)C)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=IRGYLFUARASCSX-UHFFFAOYSA-N
Formula
C32H38N2O11
Mass
626.659
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 Valine and derivatives Hexoses Alpha amino acid amides O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers Oxanes N-acyl amines Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Acetals Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Valine or derivatives - Hexose monosaccharide - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Tetralin - Alpha-amino acid or derivatives - Aryl ketone - Anisole - Alkyl aryl ether - Fatty acyl - Benzenoid - Oxane - N-acyl-amine - Monosaccharide - Fatty amide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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