Compound Identification
SMILES
CCOC(=O)CNC1CC(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=OTVLEINERQHWQO-NMJCGZPISA-N
Formula
C31H35NO12
Mass
613.616
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 Aminoglycosides Anthraquinones Alpha amino acid esters Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Carboxylic acid esters 1,2-aminoalcohols Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Alpha-amino acid ester - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Alpha-amino acid or derivatives - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Oxane - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Secondary alcohol - Organoheterocyclic compound - Acetal - Oxacycle - Secondary amine - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Aldehyde - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Amine - 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