Compound Identification
SMILES
CCC(C)C(N)C(=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(C)=O)OC(C)C1O
InChIKey
InChIKey=UHQHWAJVNAHQLV-ORHOBWLSSA-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 Isoleucine and derivatives Alpha amino acid amides Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Acetals Polyols Aldehydes Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Isoleucine 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 - Benzenoid - Fatty amide - Fatty acyl - Oxane - Monosaccharide - N-acyl-amine - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Polyol - Acetal - Ether - Carboxylic acid derivative - Oxacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Alcohol - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organooxygen compound - Organonitrogen 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