Compound Identification
SMILES
CCOC(=O)C=C(C)NC1CC(OC2CC(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=MRTOLPUJERYBTF-UHFFFAOYSA-N
Formula
C33H37NO12
Mass
639.654
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 Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Fatty acid esters Oxanes Alpha-hydroxy ketones Vinylogous amides Tertiary alcohols Enoate esters Vinylogous acids Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Enamines Acetals Dialkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acid ester - Amino saccharide - Fatty acyl - Oxane - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Vinylogous amide - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Secondary alcohol - Ketone - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Secondary amine - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Ether - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Alcohol - Aldehyde - Organic oxygen compound - Organopnictogen 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