Compound Identification
SMILES
CO[C@@H]1CN(CCO1)C1CC(O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)OC(C)C1O
InChIKey
InChIKey=CTMCWCONSULRHO-VOAJIXTCSA-N
Formula
C32H37NO13
Mass
643.642
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 Oxanes Morpholines Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids Secondary alcohols 1,2-aminoalcohols Trialkylamines Acetals Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Monosaccharide - Morpholine - Benzenoid - Oxane - Oxazinane - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Organoheterocyclic compound - Ether - Acetal - Oxacycle - Azacycle - Polyol - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Alcohol - Organooxygen 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