Compound Identification
SMILES
COCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C3=O)C(OC)=CC=C1
InChIKey
InChIKey=KHXUHAHJGPAIOL-PHKCKUDBSA-N
Formula
C28H31NO11
Mass
557.552
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 Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Aldehydes
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 - Oxane - Monosaccharide - Benzenoid - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Polyol - Acetal - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary aliphatic amine - Organonitrogen compound - Aldehyde - 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